smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1cccs1 ZINC000016395479 846164440 /nfs/dbraw/zinc/16/44/40/846164440.db2.gz AQEFBFGQXKPXTD-QFIPXVFZSA-N 1 2 400.544 4.021 20 30 HIEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1cccs1 ZINC000016395479 846164450 /nfs/dbraw/zinc/16/44/50/846164450.db2.gz AQEFBFGQXKPXTD-QFIPXVFZSA-N 1 2 400.544 4.021 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025059196 846915640 /nfs/dbraw/zinc/91/56/40/846915640.db2.gz UBXZBWZQUVYXAC-GOSISDBHSA-N 1 2 407.489 4.056 20 30 HIEDLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)Cc1cccc(C#N)c1 ZINC000026325909 847126284 /nfs/dbraw/zinc/12/62/84/847126284.db2.gz CBFKATXAIGOAOC-IBGZPJMESA-N 1 2 420.563 4.491 20 30 HIEDLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)Cc1cccc(C#N)c1 ZINC000026325909 847126290 /nfs/dbraw/zinc/12/62/90/847126290.db2.gz CBFKATXAIGOAOC-IBGZPJMESA-N 1 2 420.563 4.491 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)Cc1cccs1 ZINC000027220252 847268689 /nfs/dbraw/zinc/26/86/89/847268689.db2.gz YFUXJIGAKKWKFP-UHFFFAOYSA-N 1 2 411.449 4.352 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)Cc1cccs1 ZINC000027220252 847268699 /nfs/dbraw/zinc/26/86/99/847268699.db2.gz YFUXJIGAKKWKFP-UHFFFAOYSA-N 1 2 411.449 4.352 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccccc3)C2)sc2c1CCCCC2 ZINC000029533774 847574718 /nfs/dbraw/zinc/57/47/18/847574718.db2.gz PGJRSWJAFHRCBO-HXUWFJFHSA-N 1 2 409.555 4.291 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3ccccc3)C2)sc2c1CCCCC2 ZINC000029533774 847574723 /nfs/dbraw/zinc/57/47/23/847574723.db2.gz PGJRSWJAFHRCBO-HXUWFJFHSA-N 1 2 409.555 4.291 20 30 HIEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031890178 847961448 /nfs/dbraw/zinc/96/14/48/847961448.db2.gz PFIBTAHJWGKECM-BEFAXECRSA-N 1 2 415.896 4.071 20 30 HIEDLO Cc1ccc(-c2nc(C)c(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)s2)o1 ZINC000032833289 848080984 /nfs/dbraw/zinc/08/09/84/848080984.db2.gz KIAVDDSIPLEDED-UHFFFAOYSA-N 1 2 420.538 4.240 20 30 HIEDLO Cc1ccc(-c2nc(C)c(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)s2)o1 ZINC000032833289 848080993 /nfs/dbraw/zinc/08/09/93/848080993.db2.gz KIAVDDSIPLEDED-UHFFFAOYSA-N 1 2 420.538 4.240 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1C ZINC000051429891 849468868 /nfs/dbraw/zinc/46/88/68/849468868.db2.gz DVQXAXLOVBZYMC-FQEVSTJZSA-N 1 2 411.571 4.293 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1C ZINC000051429891 849468874 /nfs/dbraw/zinc/46/88/74/849468874.db2.gz DVQXAXLOVBZYMC-FQEVSTJZSA-N 1 2 411.571 4.293 20 30 HIEDLO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1nc(-c2ccco2)cs1 ZINC000051919586 849528702 /nfs/dbraw/zinc/52/87/02/849528702.db2.gz QNZQQZUCKKGQNQ-UHFFFAOYSA-N 1 2 410.499 4.342 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2F)c1C#N ZINC000053124947 849669547 /nfs/dbraw/zinc/66/95/47/849669547.db2.gz OZVOQFGRISSWKK-QGZVFWFLSA-N 1 2 408.477 4.389 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2F)c1C#N ZINC000053124947 849669560 /nfs/dbraw/zinc/66/95/60/849669560.db2.gz OZVOQFGRISSWKK-QGZVFWFLSA-N 1 2 408.477 4.389 20 30 HIEDLO CC(C)COC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000054324901 849848903 /nfs/dbraw/zinc/84/89/03/849848903.db2.gz SUPUMNCVONTCDY-INIZCTEOSA-N 1 2 403.592 4.353 20 30 HIEDLO N#CCc1ccc(OCc2cccc(NC(=O)NCCCCn3cc[nH+]c3)c2)cc1 ZINC000056629282 850421843 /nfs/dbraw/zinc/42/18/43/850421843.db2.gz ZEMUSAZQCIOKFV-UHFFFAOYSA-N 1 2 403.486 4.130 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000063300190 851654425 /nfs/dbraw/zinc/65/44/25/851654425.db2.gz XMUHJGXPFUTBNT-UHFFFAOYSA-N 1 2 411.509 4.248 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000063300190 851654434 /nfs/dbraw/zinc/65/44/34/851654434.db2.gz XMUHJGXPFUTBNT-UHFFFAOYSA-N 1 2 411.509 4.248 20 30 HIEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000437156392 862350374 /nfs/dbraw/zinc/35/03/74/862350374.db2.gz OVUCPGKXPDNGIH-KRWDZBQOSA-N 1 2 405.832 4.050 20 30 HIEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000437156392 862350394 /nfs/dbraw/zinc/35/03/94/862350394.db2.gz OVUCPGKXPDNGIH-KRWDZBQOSA-N 1 2 405.832 4.050 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1ccc(OC)cc1 ZINC000108236484 852831106 /nfs/dbraw/zinc/83/11/06/852831106.db2.gz BDAFEJZQKHYLEZ-UHFFFAOYSA-N 1 2 418.419 4.217 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1ccc(OC)cc1 ZINC000108236484 852831108 /nfs/dbraw/zinc/83/11/08/852831108.db2.gz BDAFEJZQKHYLEZ-UHFFFAOYSA-N 1 2 418.419 4.217 20 30 HIEDLO C=CCSc1ccccc1NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000213646405 853826318 /nfs/dbraw/zinc/82/63/18/853826318.db2.gz OBIOKKVKFOJGLZ-FLIBITNWSA-N 1 2 407.583 4.234 20 30 HIEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(C#N)o2)c2ccc(Cl)cc2)c1 ZINC000237467507 854039084 /nfs/dbraw/zinc/03/90/84/854039084.db2.gz WJSCSJGTVCEDOS-FQEVSTJZSA-N 1 2 400.887 4.087 20 30 HIEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000261418978 854255030 /nfs/dbraw/zinc/25/50/30/854255030.db2.gz CSSIGZGSXNMTOC-HSZRJFAPSA-N 1 2 406.530 4.053 20 30 HIEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000303387061 854903971 /nfs/dbraw/zinc/90/39/71/854903971.db2.gz NYONEIFVYIADHM-XMSQKQJNSA-N 1 2 403.551 4.500 20 30 HIEDLO C#CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000303387061 854903975 /nfs/dbraw/zinc/90/39/75/854903975.db2.gz NYONEIFVYIADHM-XMSQKQJNSA-N 1 2 403.551 4.500 20 30 HIEDLO C#CCOc1ccc(Br)cc1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000392247436 855464212 /nfs/dbraw/zinc/46/42/12/855464212.db2.gz RGEYELDFFRZXRJ-UHFFFAOYSA-N 1 2 400.320 4.459 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)Nc4sc(C)c(C)c4C#N)CC3)c2c1 ZINC000426417829 856281119 /nfs/dbraw/zinc/28/11/19/856281119.db2.gz CTQPKAWXPKDRCE-UHFFFAOYSA-N 1 2 420.538 4.454 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)Nc4sc(C)c(C)c4C#N)CC3)c2c1 ZINC000426417829 856281132 /nfs/dbraw/zinc/28/11/32/856281132.db2.gz CTQPKAWXPKDRCE-UHFFFAOYSA-N 1 2 420.538 4.454 20 30 HIEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000429077064 857496974 /nfs/dbraw/zinc/49/69/74/857496974.db2.gz JYMLGWZTHUAASK-UHFFFAOYSA-N 1 2 417.469 4.494 20 30 HIEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000429169256 857539634 /nfs/dbraw/zinc/53/96/34/857539634.db2.gz ABDMWTKKFXXHCK-MJGOQNOKSA-N 1 2 405.889 4.328 20 30 HIEDLO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2Cl)cc1 ZINC000429350152 857615418 /nfs/dbraw/zinc/61/54/18/857615418.db2.gz BFOGRJJRDKMJNI-MRXNPFEDSA-N 1 2 407.861 4.337 20 30 HIEDLO CCC[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000430060980 858017040 /nfs/dbraw/zinc/01/70/40/858017040.db2.gz PKAMPBJOIDHPMC-UHFFFAOYSA-N 1 2 404.539 4.357 20 30 HIEDLO CCC[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000430060980 858017045 /nfs/dbraw/zinc/01/70/45/858017045.db2.gz PKAMPBJOIDHPMC-UHFFFAOYSA-N 1 2 404.539 4.357 20 30 HIEDLO C[C@H](NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000430189341 858073418 /nfs/dbraw/zinc/07/34/18/858073418.db2.gz DDBKAOIWIBJYHA-KRWDZBQOSA-N 1 2 407.905 4.381 20 30 HIEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000433217018 859572495 /nfs/dbraw/zinc/57/24/95/859572495.db2.gz CSTPLEZRFMBKMM-UHFFFAOYSA-N 1 2 415.444 4.104 20 30 HIEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2)cc1 ZINC000433227452 859579177 /nfs/dbraw/zinc/57/91/77/859579177.db2.gz LAACBFUBRHAFDC-JOCHJYFZSA-N 1 2 400.438 4.431 20 30 HIEDLO N#CCCn1cc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(-c2ccncc2)n1 ZINC000433321376 859639454 /nfs/dbraw/zinc/63/94/54/859639454.db2.gz NLJUOYWJNCVGST-UHFFFAOYSA-N 1 2 403.877 4.310 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434902472 860546695 /nfs/dbraw/zinc/54/66/95/860546695.db2.gz DHPBFRGKCUCEIL-OAHLLOKOSA-N 1 2 401.576 4.107 20 30 HIEDLO Cn1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(-c2ccccc2Cl)n1 ZINC000434985465 860586275 /nfs/dbraw/zinc/58/62/75/860586275.db2.gz AWUCYWLHEOQKQN-JOCHJYFZSA-N 1 2 405.933 4.123 20 30 HIEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000435031890 860607632 /nfs/dbraw/zinc/60/76/32/860607632.db2.gz CZJUYRPZOBOVOF-SFTDATJTSA-N 1 2 408.498 4.256 20 30 HIEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000435031890 860607637 /nfs/dbraw/zinc/60/76/37/860607637.db2.gz CZJUYRPZOBOVOF-SFTDATJTSA-N 1 2 408.498 4.256 20 30 HIEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)c1 ZINC000435552986 860870567 /nfs/dbraw/zinc/87/05/67/860870567.db2.gz ZDISBAHSQMEYAY-GOSISDBHSA-N 1 2 422.529 4.265 20 30 HIEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cc3C#N)CC2)cs1 ZINC000467789007 881611601 /nfs/dbraw/zinc/61/16/01/881611601.db2.gz OVFBEGDRDMXVQM-AWEZNQCLSA-N 1 2 424.492 4.453 20 30 HIEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cc3C#N)CC2)cs1 ZINC000467789007 881611610 /nfs/dbraw/zinc/61/16/10/881611610.db2.gz OVFBEGDRDMXVQM-AWEZNQCLSA-N 1 2 424.492 4.453 20 30 HIEDLO C[C@H](c1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000438009431 863368723 /nfs/dbraw/zinc/36/87/23/863368723.db2.gz IVARTWXQRWOTNS-FOVJLYNBSA-N 1 2 418.541 4.383 20 30 HIEDLO C=CCNC(=O)c1cccc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000438246016 863706655 /nfs/dbraw/zinc/70/66/55/863706655.db2.gz YCTABCKLOBIXTO-HXUWFJFHSA-N 1 2 406.461 4.129 20 30 HIEDLO C=CCNC(=O)c1cccc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000438246016 863706703 /nfs/dbraw/zinc/70/67/03/863706703.db2.gz YCTABCKLOBIXTO-HXUWFJFHSA-N 1 2 406.461 4.129 20 30 HIEDLO CCC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000439047011 864498365 /nfs/dbraw/zinc/49/83/65/864498365.db2.gz ZIKFMGVZKVIIJY-NRFANRHFSA-N 1 2 420.557 4.289 20 30 HIEDLO CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000439047011 864498375 /nfs/dbraw/zinc/49/83/75/864498375.db2.gz ZIKFMGVZKVIIJY-NRFANRHFSA-N 1 2 420.557 4.289 20 30 HIEDLO N#Cc1cccc(-c2nnc(C[N@@H+](CCc3ccccn3)Cc3ccc(F)cc3)o2)c1 ZINC000439963755 865256272 /nfs/dbraw/zinc/25/62/72/865256272.db2.gz NOEINZUPQMMTML-UHFFFAOYSA-N 1 2 413.456 4.387 20 30 HIEDLO N#Cc1cccc(-c2nnc(C[N@H+](CCc3ccccn3)Cc3ccc(F)cc3)o2)c1 ZINC000439963755 865256285 /nfs/dbraw/zinc/25/62/85/865256285.db2.gz NOEINZUPQMMTML-UHFFFAOYSA-N 1 2 413.456 4.387 20 30 HIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441344310 866414911 /nfs/dbraw/zinc/41/49/11/866414911.db2.gz CFHJROJDVVCKMO-MRXNPFEDSA-N 1 2 407.905 4.140 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000441626459 866726763 /nfs/dbraw/zinc/72/67/63/866726763.db2.gz XXBRBDKKSANNOU-INIZCTEOSA-N 1 2 412.921 4.349 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000441626459 866726787 /nfs/dbraw/zinc/72/67/87/866726787.db2.gz XXBRBDKKSANNOU-INIZCTEOSA-N 1 2 412.921 4.349 20 30 HIEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442207100 867229526 /nfs/dbraw/zinc/22/95/26/867229526.db2.gz KHTSYSXKZINQTB-NRFANRHFSA-N 1 2 403.486 4.333 20 30 HIEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000443637585 868221936 /nfs/dbraw/zinc/22/19/36/868221936.db2.gz GMDRFAHGHCXIQW-UKRRQHHQSA-N 1 2 410.449 4.255 20 30 HIEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000443637585 868221954 /nfs/dbraw/zinc/22/19/54/868221954.db2.gz GMDRFAHGHCXIQW-UKRRQHHQSA-N 1 2 410.449 4.255 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000444696171 868962927 /nfs/dbraw/zinc/96/29/27/868962927.db2.gz VBXYSQWLHVQQLX-GOSISDBHSA-N 1 2 418.463 4.238 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000444696171 868962934 /nfs/dbraw/zinc/96/29/34/868962934.db2.gz VBXYSQWLHVQQLX-GOSISDBHSA-N 1 2 418.463 4.238 20 30 HIEDLO C=CC[C@@H]1[N@@H+](Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CCCC1(C)C ZINC000444774633 868996824 /nfs/dbraw/zinc/99/68/24/868996824.db2.gz JVUIYIDYOTUTNW-KRWDZBQOSA-N 1 2 402.539 4.174 20 30 HIEDLO C=CC[C@@H]1[N@H+](Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CCCC1(C)C ZINC000444774633 868996832 /nfs/dbraw/zinc/99/68/32/868996832.db2.gz JVUIYIDYOTUTNW-KRWDZBQOSA-N 1 2 402.539 4.174 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000445236103 869292266 /nfs/dbraw/zinc/29/22/66/869292266.db2.gz GNKYVQNQJLOFQH-SFHVURJKSA-N 1 2 401.470 4.496 20 30 HIEDLO COc1cccc([C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccccc2Cl)c1 ZINC000462236327 875348268 /nfs/dbraw/zinc/34/82/68/875348268.db2.gz LLLOVBMAKXEBDA-QFIPXVFZSA-N 1 2 411.933 4.370 20 30 HIEDLO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1csc(-c2ccccc2F)n1 ZINC000462820069 875860478 /nfs/dbraw/zinc/86/04/78/875860478.db2.gz VGEUQCJBYNYMCF-MGPUTAFESA-N 1 2 420.513 4.273 20 30 HIEDLO N#Cc1ccc(Br)c(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000503264537 912245365 /nfs/dbraw/zinc/24/53/65/912245365.db2.gz BNMBWUNYAGYCCP-HXUWFJFHSA-N 1 2 408.299 4.014 20 30 HIEDLO N#C[C@H](C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464423387 877633381 /nfs/dbraw/zinc/63/33/81/877633381.db2.gz ZCWIUBAOZVLEHU-LBPRGKRZSA-N 1 2 407.302 4.109 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(OCC2CC2)CC1 ZINC000464820257 878072684 /nfs/dbraw/zinc/07/26/84/878072684.db2.gz VSTFPEDAJZJXLO-HNNXBMFYSA-N 1 2 401.576 4.107 20 30 HIEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464918230 878239836 /nfs/dbraw/zinc/23/98/36/878239836.db2.gz FPAKYFZTYPWVRU-UHFFFAOYSA-N 1 2 412.493 4.453 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469380887 883515407 /nfs/dbraw/zinc/51/54/07/883515407.db2.gz HPQQMQSNTJUETD-JPYJTQIMSA-N 1 2 400.482 4.057 20 30 HIEDLO N#CCCCn1cc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c2ccccc21 ZINC000469811103 883986216 /nfs/dbraw/zinc/98/62/16/883986216.db2.gz PATAXJXHRZXYPO-UHFFFAOYSA-N 1 2 420.944 4.387 20 30 HIEDLO N#CCCCn1cc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c2ccccc21 ZINC000469811103 883986225 /nfs/dbraw/zinc/98/62/25/883986225.db2.gz PATAXJXHRZXYPO-UHFFFAOYSA-N 1 2 420.944 4.387 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025139 884244943 /nfs/dbraw/zinc/24/49/43/884244943.db2.gz SOSRJZGTTYMHRH-XJKSGUPXSA-N 1 2 404.297 4.345 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025139 884244954 /nfs/dbraw/zinc/24/49/54/884244954.db2.gz SOSRJZGTTYMHRH-XJKSGUPXSA-N 1 2 404.297 4.345 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470961447 885459568 /nfs/dbraw/zinc/45/95/68/885459568.db2.gz SMUNYAPHYLKOGG-APWZRJJASA-N 1 2 418.463 4.236 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470961447 885459580 /nfs/dbraw/zinc/45/95/80/885459580.db2.gz SMUNYAPHYLKOGG-APWZRJJASA-N 1 2 418.463 4.236 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474153880 888985339 /nfs/dbraw/zinc/98/53/39/888985339.db2.gz MLGHWKAMOBGLNB-RTWAWAEBSA-N 1 2 411.908 4.334 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474153880 888985359 /nfs/dbraw/zinc/98/53/59/888985359.db2.gz MLGHWKAMOBGLNB-RTWAWAEBSA-N 1 2 411.908 4.334 20 30 HIEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)ccn1 ZINC000474699007 889557564 /nfs/dbraw/zinc/55/75/64/889557564.db2.gz QVSADNSNIUWIRC-UHFFFAOYSA-N 1 2 422.941 4.293 20 30 HIEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000474709478 889568884 /nfs/dbraw/zinc/56/88/84/889568884.db2.gz NOPPKPHLNNXMCA-OAQYLSRUSA-N 1 2 410.493 4.126 20 30 HIEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000474709478 889568894 /nfs/dbraw/zinc/56/88/94/889568894.db2.gz NOPPKPHLNNXMCA-OAQYLSRUSA-N 1 2 410.493 4.126 20 30 HIEDLO C=CC[N@H+](Cc1cnc2ccc(Br)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512379457 921116450 /nfs/dbraw/zinc/11/64/50/921116450.db2.gz IYHKQSNBNMITDD-UHFFFAOYSA-N 1 2 401.264 4.193 20 30 HIEDLO C=CC[N@@H+](Cc1cnc2ccc(Br)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512379457 921116457 /nfs/dbraw/zinc/11/64/57/921116457.db2.gz IYHKQSNBNMITDD-UHFFFAOYSA-N 1 2 401.264 4.193 20 30 HIEDLO COc1cccc([C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2cc(F)ccc2OC)c1 ZINC000475180389 890050157 /nfs/dbraw/zinc/05/01/57/890050157.db2.gz YKNZMUHZWAYRRJ-XMMPIXPASA-N 1 2 419.456 4.032 20 30 HIEDLO Cc1nc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)ccc1C#N ZINC000504790618 913516290 /nfs/dbraw/zinc/51/62/90/913516290.db2.gz WKFUSCRXHCZVHV-UHFFFAOYSA-N 1 2 407.477 4.104 20 30 HIEDLO CC(C)c1[nH+]ccn1Cc1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479056954 894316514 /nfs/dbraw/zinc/31/65/14/894316514.db2.gz HWPVDMMAGHDSIX-UHFFFAOYSA-N 1 2 414.918 4.381 20 30 HIEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000479547384 894847826 /nfs/dbraw/zinc/84/78/26/894847826.db2.gz RJKKOCYUPDDQME-UHFFFAOYSA-N 1 2 400.507 4.067 20 30 HIEDLO C=CCOc1cccc(NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000480263615 895672612 /nfs/dbraw/zinc/67/26/12/895672612.db2.gz ZRGQGSIBANESSC-FQEVSTJZSA-N 1 2 409.530 4.006 20 30 HIEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)c2)cc1 ZINC000505475714 914154142 /nfs/dbraw/zinc/15/41/42/914154142.db2.gz FIWKXYZIMIIQQX-QHCPKHFHSA-N 1 2 400.457 4.228 20 30 HIEDLO N#C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C[C@@]12C(=O)Nc1ccccc12 ZINC000483249634 898891831 /nfs/dbraw/zinc/89/18/31/898891831.db2.gz XJLPDNPXOCTDEA-QKFKETGDSA-N 1 2 405.404 4.070 20 30 HIEDLO N#C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C[C@@]12C(=O)Nc1ccccc12 ZINC000483249634 898891835 /nfs/dbraw/zinc/89/18/35/898891835.db2.gz XJLPDNPXOCTDEA-QKFKETGDSA-N 1 2 405.404 4.070 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000505591947 914298028 /nfs/dbraw/zinc/29/80/28/914298028.db2.gz VWZWMKNRXCLAIK-MRXNPFEDSA-N 1 2 401.457 4.303 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000505591947 914298051 /nfs/dbraw/zinc/29/80/51/914298051.db2.gz VWZWMKNRXCLAIK-MRXNPFEDSA-N 1 2 401.457 4.303 20 30 HIEDLO C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1nc(Cc2ccccc2)no1 ZINC000483648020 899304843 /nfs/dbraw/zinc/30/48/43/899304843.db2.gz FXEPAQWICVCYAS-GOSISDBHSA-N 1 2 412.497 4.288 20 30 HIEDLO C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[NH+]1CCSCC1 ZINC000484902152 900282051 /nfs/dbraw/zinc/28/20/51/900282051.db2.gz CQAKCYCJZCILPC-HNNXBMFYSA-N 1 2 415.946 4.166 20 30 HIEDLO C=CCOc1ccccc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000485292202 900570574 /nfs/dbraw/zinc/57/05/74/900570574.db2.gz YEFCHLBBTWXTFZ-UHFFFAOYSA-N 1 2 401.470 4.140 20 30 HIEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1Br)C1CCCC1)C1CC1 ZINC000486791913 901856301 /nfs/dbraw/zinc/85/63/01/901856301.db2.gz AZOWENFGOPJPHQ-HXUWFJFHSA-N 1 2 404.352 4.002 20 30 HIEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1Br)C1CCCC1)C1CC1 ZINC000486791913 901856305 /nfs/dbraw/zinc/85/63/05/901856305.db2.gz AZOWENFGOPJPHQ-HXUWFJFHSA-N 1 2 404.352 4.002 20 30 HIEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(Oc3ccc(C#N)cc3F)c2c1C ZINC000486925170 901967314 /nfs/dbraw/zinc/96/73/14/901967314.db2.gz LLNNIWFXTKQJQQ-UHFFFAOYSA-N 1 2 414.462 4.041 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)c1C#N ZINC000488496080 902855169 /nfs/dbraw/zinc/85/51/69/902855169.db2.gz RATYMODHVDWMPR-UHFFFAOYSA-N 1 2 400.473 4.440 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)c1C#N ZINC000488496080 902855171 /nfs/dbraw/zinc/85/51/71/902855171.db2.gz RATYMODHVDWMPR-UHFFFAOYSA-N 1 2 400.473 4.440 20 30 HIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490042161 903738430 /nfs/dbraw/zinc/73/84/30/903738430.db2.gz NQJIVNKWCWJFIN-HNNXBMFYSA-N 1 2 414.962 4.365 20 30 HIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490042161 903738436 /nfs/dbraw/zinc/73/84/36/903738436.db2.gz NQJIVNKWCWJFIN-HNNXBMFYSA-N 1 2 414.962 4.365 20 30 HIEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490236239 903845073 /nfs/dbraw/zinc/84/50/73/903845073.db2.gz DJMCVQINAFLHHO-FCHUYYIVSA-N 1 2 415.484 4.116 20 30 HIEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490236239 903845075 /nfs/dbraw/zinc/84/50/75/903845075.db2.gz DJMCVQINAFLHHO-FCHUYYIVSA-N 1 2 415.484 4.116 20 30 HIEDLO C[C@H](c1nnc(SCCOc2ccccc2C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000497671035 907169826 /nfs/dbraw/zinc/16/98/26/907169826.db2.gz JSNHMJMFDRFIMR-OAHLLOKOSA-N 1 2 411.506 4.072 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)c(F)c1 ZINC000512805697 921315113 /nfs/dbraw/zinc/31/51/13/921315113.db2.gz KVIIWYGAQDGGPL-UHFFFAOYSA-N 1 2 421.394 4.198 20 30 HIEDLO COc1ccc(-c2nc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)co2)cc1 ZINC000512827535 921331908 /nfs/dbraw/zinc/33/19/08/921331908.db2.gz KGZXQJKQALCYHC-UHFFFAOYSA-N 1 2 407.445 4.404 20 30 HIEDLO COC(=O)c1cccc(Cl)c1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512838860 921343002 /nfs/dbraw/zinc/34/30/02/921343002.db2.gz FQEDUYRMEAAMBM-UHFFFAOYSA-N 1 2 402.853 4.181 20 30 HIEDLO COc1ccc(-c2noc([C@H](C)[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)n2)cc1 ZINC000512844439 921347538 /nfs/dbraw/zinc/34/75/38/921347538.db2.gz NJVPDVXMJIYKRX-HNNXBMFYSA-N 1 2 422.460 4.360 20 30 HIEDLO COc1ccc(-c2noc([C@@H](C)[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)n2)cc1 ZINC000512844443 921347766 /nfs/dbraw/zinc/34/77/66/921347766.db2.gz NJVPDVXMJIYKRX-OAHLLOKOSA-N 1 2 422.460 4.360 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)Cc1ccccc1 ZINC000513046227 921504137 /nfs/dbraw/zinc/50/41/37/921504137.db2.gz JOMHBLFJYKFZLT-UHFFFAOYSA-N 1 2 423.538 4.454 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)Cc1ccccc1 ZINC000513046227 921504146 /nfs/dbraw/zinc/50/41/46/921504146.db2.gz JOMHBLFJYKFZLT-UHFFFAOYSA-N 1 2 423.538 4.454 20 30 HIEDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1Cl ZINC000500778172 910074729 /nfs/dbraw/zinc/07/47/29/910074729.db2.gz ITHIKXJCIQMWOP-UHFFFAOYSA-N 1 2 417.840 4.093 20 30 HIEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000501113498 910301122 /nfs/dbraw/zinc/30/11/22/910301122.db2.gz COAVEQYPBLNUDY-UHFFFAOYSA-N 1 2 407.315 4.191 20 30 HIEDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(F)c1 ZINC000513139931 921579687 /nfs/dbraw/zinc/57/96/87/921579687.db2.gz ZRDXWOONFBMOKX-IBGZPJMESA-N 1 2 405.267 4.028 20 30 HIEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(Cl)c1 ZINC000502165392 911085685 /nfs/dbraw/zinc/08/56/85/911085685.db2.gz INKQKTKRQVBHRP-MRXNPFEDSA-N 1 2 424.932 4.198 20 30 HIEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502329006 911306188 /nfs/dbraw/zinc/30/61/88/911306188.db2.gz CWSCWWYZIGDIKC-SFHVURJKSA-N 1 2 403.461 4.052 20 30 HIEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502329006 911306208 /nfs/dbraw/zinc/30/62/08/911306208.db2.gz CWSCWWYZIGDIKC-SFHVURJKSA-N 1 2 403.461 4.052 20 30 HIEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528997 911533075 /nfs/dbraw/zinc/53/30/75/911533075.db2.gz MOLDYFZKNOOJGX-UHFFFAOYSA-N 1 2 411.509 4.089 20 30 HIEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528997 911533086 /nfs/dbraw/zinc/53/30/86/911533086.db2.gz MOLDYFZKNOOJGX-UHFFFAOYSA-N 1 2 411.509 4.089 20 30 HIEDLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548382 911554011 /nfs/dbraw/zinc/55/40/11/911554011.db2.gz KGPMUENYAANGIY-UHFFFAOYSA-N 1 2 410.315 4.357 20 30 HIEDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548382 911554038 /nfs/dbraw/zinc/55/40/38/911554038.db2.gz KGPMUENYAANGIY-UHFFFAOYSA-N 1 2 410.315 4.357 20 30 HIEDLO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)Cc1ccncc1 ZINC000502733175 911759772 /nfs/dbraw/zinc/75/97/72/911759772.db2.gz SSMMNBIQRYNHIB-UHFFFAOYSA-N 1 2 413.525 4.083 20 30 HIEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)Cc1ccncc1 ZINC000502733175 911759785 /nfs/dbraw/zinc/75/97/85/911759785.db2.gz SSMMNBIQRYNHIB-UHFFFAOYSA-N 1 2 413.525 4.083 20 30 HIEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503054045 912019116 /nfs/dbraw/zinc/01/91/16/912019116.db2.gz XCVFXVNOBBGSCT-HNNXBMFYSA-N 1 2 415.444 4.104 20 30 HIEDLO C=C(C)COc1cc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC ZINC000506354610 914977125 /nfs/dbraw/zinc/97/71/25/914977125.db2.gz DTRRKDFNAVPJKL-KRWDZBQOSA-N 1 2 403.544 4.247 20 30 HIEDLO C=C(C)COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC ZINC000506354610 914977141 /nfs/dbraw/zinc/97/71/41/914977141.db2.gz DTRRKDFNAVPJKL-KRWDZBQOSA-N 1 2 403.544 4.247 20 30 HIEDLO N#CCCCCNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000506506782 915129860 /nfs/dbraw/zinc/12/98/60/915129860.db2.gz XDHFBOZVKUDDDP-JOCHJYFZSA-N 1 2 410.949 4.450 20 30 HIEDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(C)n1CC(F)(F)F ZINC000507805605 916590678 /nfs/dbraw/zinc/59/06/78/916590678.db2.gz WMZPFYJTWZHYIZ-UHFFFAOYSA-N 1 2 419.447 4.265 20 30 HIEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000507805795 916594088 /nfs/dbraw/zinc/59/40/88/916594088.db2.gz XLTWURNOEXULRB-UHFFFAOYSA-N 1 2 412.493 4.153 20 30 HIEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000508354963 917155771 /nfs/dbraw/zinc/15/57/71/917155771.db2.gz PQOVPKCOYYXGPI-UHFFFAOYSA-N 1 2 413.886 4.011 20 30 HIEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000508490667 917275280 /nfs/dbraw/zinc/27/52/80/917275280.db2.gz QRXCDKRKKLVCTJ-HXUWFJFHSA-N 1 2 412.488 4.011 20 30 HIEDLO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000508788294 917544126 /nfs/dbraw/zinc/54/41/26/917544126.db2.gz CDTGRFRQIVPQSG-OAQYLSRUSA-N 1 2 424.499 4.078 20 30 HIEDLO C[N@H+](CCOc1ccc(OCc2ccccc2)cc1)CC(=O)Nc1sccc1C#N ZINC000512328889 921078886 /nfs/dbraw/zinc/07/88/86/921078886.db2.gz MZHUFAAXBHELJP-UHFFFAOYSA-N 1 2 421.522 4.148 20 30 HIEDLO C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)CC(=O)Nc1sccc1C#N ZINC000512328889 921078898 /nfs/dbraw/zinc/07/88/98/921078898.db2.gz MZHUFAAXBHELJP-UHFFFAOYSA-N 1 2 421.522 4.148 20 30 HIEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000513745764 922066891 /nfs/dbraw/zinc/06/68/91/922066891.db2.gz GJKMBHGGBYVVLK-HNNXBMFYSA-N 1 2 401.894 4.100 20 30 HIEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000513745764 922066911 /nfs/dbraw/zinc/06/69/11/922066911.db2.gz GJKMBHGGBYVVLK-HNNXBMFYSA-N 1 2 401.894 4.100 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)c1 ZINC000513786510 922112833 /nfs/dbraw/zinc/11/28/33/922112833.db2.gz IEWLSLKQXHKVMW-UHFFFAOYSA-N 1 2 422.472 4.230 20 30 HIEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000513966371 922285125 /nfs/dbraw/zinc/28/51/25/922285125.db2.gz PYESWJBZXGJKEN-MRXNPFEDSA-N 1 2 407.518 4.489 20 30 HIEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000513966371 922285138 /nfs/dbraw/zinc/28/51/38/922285138.db2.gz PYESWJBZXGJKEN-MRXNPFEDSA-N 1 2 407.518 4.489 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCc2cc(OC)c(OC)cc2CC1 ZINC000514212522 922548019 /nfs/dbraw/zinc/54/80/19/922548019.db2.gz FOSLXABPPQGAIK-UHFFFAOYSA-N 1 2 412.555 4.021 20 30 HIEDLO C=CC[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518253150 927109488 /nfs/dbraw/zinc/10/94/88/927109488.db2.gz UWNVFCPLTYLWOB-OAHLLOKOSA-N 1 2 421.892 4.115 20 30 HIEDLO C=CC[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518253150 927109504 /nfs/dbraw/zinc/10/95/04/927109504.db2.gz UWNVFCPLTYLWOB-OAHLLOKOSA-N 1 2 421.892 4.115 20 30 HIEDLO C=CC[N@H+](Cc1csc(Cc2ccccc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256173 927115218 /nfs/dbraw/zinc/11/52/18/927115218.db2.gz PBCIRLIFLXFASG-GOSISDBHSA-N 1 2 416.554 4.459 20 30 HIEDLO C=CC[N@@H+](Cc1csc(Cc2ccccc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256173 927115230 /nfs/dbraw/zinc/11/52/30/927115230.db2.gz PBCIRLIFLXFASG-GOSISDBHSA-N 1 2 416.554 4.459 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000518315960 927178081 /nfs/dbraw/zinc/17/80/81/927178081.db2.gz LPOBOCGHULZZLJ-UHFFFAOYSA-N 1 2 406.530 4.113 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000518315960 927178093 /nfs/dbraw/zinc/17/80/93/927178093.db2.gz LPOBOCGHULZZLJ-UHFFFAOYSA-N 1 2 406.530 4.113 20 30 HIEDLO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)cc1 ZINC000519887823 928121033 /nfs/dbraw/zinc/12/10/33/928121033.db2.gz SHRNEWFVZZBOLW-QHCPKHFHSA-N 1 2 407.876 4.346 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000520240906 928408840 /nfs/dbraw/zinc/40/88/40/928408840.db2.gz TVLAZDUDKBMEDT-UHFFFAOYSA-N 1 2 424.520 4.252 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000520240906 928408850 /nfs/dbraw/zinc/40/88/50/928408850.db2.gz TVLAZDUDKBMEDT-UHFFFAOYSA-N 1 2 424.520 4.252 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000520847636 928842469 /nfs/dbraw/zinc/84/24/69/928842469.db2.gz MOAZDLZRLYAEME-QGZVFWFLSA-N 1 2 401.919 4.047 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000520847636 928842470 /nfs/dbraw/zinc/84/24/70/928842470.db2.gz MOAZDLZRLYAEME-QGZVFWFLSA-N 1 2 401.919 4.047 20 30 HIEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000531587475 931111377 /nfs/dbraw/zinc/11/13/77/931111377.db2.gz USFOOSPYXSBUEO-WMZHIEFXSA-N 1 2 421.541 4.029 20 30 HIEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000531587475 931111381 /nfs/dbraw/zinc/11/13/81/931111381.db2.gz USFOOSPYXSBUEO-WMZHIEFXSA-N 1 2 421.541 4.029 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c1C#N ZINC000532486095 931457269 /nfs/dbraw/zinc/45/72/69/931457269.db2.gz GROUYQKAOJSUOV-KRWDZBQOSA-N 1 2 408.477 4.389 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)c1C#N ZINC000532486095 931457272 /nfs/dbraw/zinc/45/72/72/931457272.db2.gz GROUYQKAOJSUOV-KRWDZBQOSA-N 1 2 408.477 4.389 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000532625138 931557313 /nfs/dbraw/zinc/55/73/13/931557313.db2.gz JXNHDNORUDQZDY-NVXWUHKLSA-N 1 2 408.552 4.214 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000532625138 931557322 /nfs/dbraw/zinc/55/73/22/931557322.db2.gz JXNHDNORUDQZDY-NVXWUHKLSA-N 1 2 408.552 4.214 20 30 HIEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285288 931828307 /nfs/dbraw/zinc/82/83/07/931828307.db2.gz ZDOSUHXXWOENSC-QGZVFWFLSA-N 1 2 421.932 4.459 20 30 HIEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285288 931828308 /nfs/dbraw/zinc/82/83/08/931828308.db2.gz ZDOSUHXXWOENSC-QGZVFWFLSA-N 1 2 421.932 4.459 20 30 HIEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000533296124 931831814 /nfs/dbraw/zinc/83/18/14/931831814.db2.gz FEYLJQPRJAXKRG-JVWICGRDSA-N 1 2 413.406 4.122 20 30 HIEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000533296124 931831817 /nfs/dbraw/zinc/83/18/17/931831817.db2.gz FEYLJQPRJAXKRG-JVWICGRDSA-N 1 2 413.406 4.122 20 30 HIEDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(C)n1CC(F)(F)F ZINC000534528771 932546725 /nfs/dbraw/zinc/54/67/25/932546725.db2.gz GXASCACMGZNJGP-UHFFFAOYSA-N 1 2 419.447 4.265 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000534954354 932857131 /nfs/dbraw/zinc/85/71/31/932857131.db2.gz RGFTWTDCBMCJNN-IBGZPJMESA-N 1 2 401.514 4.051 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000534954354 932857136 /nfs/dbraw/zinc/85/71/36/932857136.db2.gz RGFTWTDCBMCJNN-IBGZPJMESA-N 1 2 401.514 4.051 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884047 933464573 /nfs/dbraw/zinc/46/45/73/933464573.db2.gz AQCRLYGGONOFSS-TZIWHRDSSA-N 1 2 417.937 4.146 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884047 933464577 /nfs/dbraw/zinc/46/45/77/933464577.db2.gz AQCRLYGGONOFSS-TZIWHRDSSA-N 1 2 417.937 4.146 20 30 HIEDLO N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)c2)cc1 ZINC000537337096 933722173 /nfs/dbraw/zinc/72/21/73/933722173.db2.gz QXNKUQPVEPAXAB-QFIPXVFZSA-N 1 2 415.497 4.225 20 30 HIEDLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537626925 938338268 /nfs/dbraw/zinc/33/82/68/938338268.db2.gz HZTFAKDRIASCMK-UHFFFAOYSA-N 1 2 411.465 4.214 20 30 HIEDLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537626925 938338272 /nfs/dbraw/zinc/33/82/72/938338272.db2.gz HZTFAKDRIASCMK-UHFFFAOYSA-N 1 2 411.465 4.214 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538024214 938468496 /nfs/dbraw/zinc/46/84/96/938468496.db2.gz PLKJBPOUKDEEPS-XWRIVVANSA-N 1 2 415.896 4.070 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538024214 938468497 /nfs/dbraw/zinc/46/84/97/938468497.db2.gz PLKJBPOUKDEEPS-XWRIVVANSA-N 1 2 415.896 4.070 20 30 HIEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000538161556 938530213 /nfs/dbraw/zinc/53/02/13/938530213.db2.gz AEVWQQFEBNOWMI-ZDUSSCGKSA-N 1 2 402.376 4.400 20 30 HIEDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000538256158 938575759 /nfs/dbraw/zinc/57/57/59/938575759.db2.gz DUKFCLTULNHWCI-ZDUSSCGKSA-N 1 2 401.507 4.326 20 30 HIEDLO C=CCN1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)C1=O ZINC000538610574 938661036 /nfs/dbraw/zinc/66/10/36/938661036.db2.gz GEXDTTIQHKIEEB-RBUKOAKNSA-N 1 2 403.295 4.054 20 30 HIEDLO C=CCc1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc(OC)c1O ZINC000538727199 938692958 /nfs/dbraw/zinc/69/29/58/938692958.db2.gz AFYCFCOQEUQHDY-FQEVSTJZSA-N 1 2 410.514 4.049 20 30 HIEDLO C=CCc1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc(OC)c1O ZINC000538727199 938692961 /nfs/dbraw/zinc/69/29/61/938692961.db2.gz AFYCFCOQEUQHDY-FQEVSTJZSA-N 1 2 410.514 4.049 20 30 HIEDLO CC(C)(C)c1cc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c(C#N)s1 ZINC000539172106 938815505 /nfs/dbraw/zinc/81/55/05/938815505.db2.gz BJZNYJTWVXAUIP-UHFFFAOYSA-N 1 2 421.526 4.395 20 30 HIEDLO CC(=O)N(c1nc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cs1)C1CC1 ZINC000539710545 938908656 /nfs/dbraw/zinc/90/86/56/938908656.db2.gz YRSVQJWOLYTFFH-UHFFFAOYSA-N 1 2 402.523 4.487 20 30 HIEDLO C=CCC[C@@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccccc1 ZINC000540457651 939259329 /nfs/dbraw/zinc/25/93/29/939259329.db2.gz GKBKGJFCSRPUBC-LJQANCHMSA-N 1 2 410.518 4.404 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000540638066 939326858 /nfs/dbraw/zinc/32/68/58/939326858.db2.gz GEKGGSBGHBYSMS-GOSISDBHSA-N 1 2 405.433 4.383 20 30 HIEDLO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1nccs1 ZINC000541595594 939562503 /nfs/dbraw/zinc/56/25/03/939562503.db2.gz VBDBOFTYJPBEEG-GOSISDBHSA-N 1 2 411.506 4.241 20 30 HIEDLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000541642687 939583728 /nfs/dbraw/zinc/58/37/28/939583728.db2.gz OYPKAJHROWQECQ-DLBZAZTESA-N 1 2 406.461 4.467 20 30 HIEDLO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000542461835 939827131 /nfs/dbraw/zinc/82/71/31/939827131.db2.gz NUJLAGFNPZYNSD-UHFFFAOYSA-N 1 2 418.497 4.259 20 30 HIEDLO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000542613846 939848503 /nfs/dbraw/zinc/84/85/03/939848503.db2.gz AODZYYRSERBJSY-NSHDSACASA-N 1 2 401.239 4.361 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000542616906 939849111 /nfs/dbraw/zinc/84/91/11/939849111.db2.gz KXNOELVYXJHHOX-HNNXBMFYSA-N 1 2 423.542 4.029 20 30 HIEDLO Cc1nc(NCc2cccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)cc[nH+]1 ZINC000542655900 939851956 /nfs/dbraw/zinc/85/19/56/939851956.db2.gz BVFACUOUSYAKFL-GOTSBHOMSA-N 1 2 411.509 4.309 20 30 HIEDLO Cc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000543152737 939976382 /nfs/dbraw/zinc/97/63/82/939976382.db2.gz CIJZRQKWAOIQIC-HSZRJFAPSA-N 1 2 408.498 4.289 20 30 HIEDLO Cc1nc(NCc2cccc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)c2)cc[nH+]1 ZINC000543588794 940122451 /nfs/dbraw/zinc/12/24/51/940122451.db2.gz WCEQSPFAIOZIGR-UHFFFAOYSA-N 1 2 424.426 4.197 20 30 HIEDLO N#Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544127167 940333181 /nfs/dbraw/zinc/33/31/81/940333181.db2.gz JRIDABOFJONIIS-UHFFFAOYSA-N 1 2 406.273 4.245 20 30 HIEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)s1 ZINC000544476498 940448181 /nfs/dbraw/zinc/44/81/81/940448181.db2.gz HJCNRNDZPICSKY-UHFFFAOYSA-N 1 2 421.570 4.253 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000544485696 940453075 /nfs/dbraw/zinc/45/30/75/940453075.db2.gz PYVUGVFNXKSAGW-INIZCTEOSA-N 1 2 414.575 4.437 20 30 HIEDLO Cc1nc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)sc1SCC#N ZINC000544523038 940470764 /nfs/dbraw/zinc/47/07/64/940470764.db2.gz VRWOUAOATLVSHO-UHFFFAOYSA-N 1 2 410.528 4.030 20 30 HIEDLO COc1c(Br)cc(Br)cc1CNc1cc(CC#N)cc[nH+]1 ZINC000546634031 940863019 /nfs/dbraw/zinc/86/30/19/940863019.db2.gz NEIKUUFSJPGLJU-UHFFFAOYSA-N 1 2 411.097 4.293 20 30 HIEDLO C[N@H+](Cc1ccc(Br)cc1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000554243021 942076380 /nfs/dbraw/zinc/07/63/80/942076380.db2.gz CLLWTJKTGBBIAN-KRWDZBQOSA-N 1 2 424.136 4.249 20 30 HIEDLO C[N@@H+](Cc1ccc(Br)cc1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000554243021 942076385 /nfs/dbraw/zinc/07/63/85/942076385.db2.gz CLLWTJKTGBBIAN-KRWDZBQOSA-N 1 2 424.136 4.249 20 30 HIEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000554565036 942168912 /nfs/dbraw/zinc/16/89/12/942168912.db2.gz VTCIHSWAHYYWOY-UHFFFAOYSA-N 1 2 414.509 4.172 20 30 HIEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556711012 942930097 /nfs/dbraw/zinc/93/00/97/942930097.db2.gz CFEFJHKAFVUQLF-ICSRJNTNSA-N 1 2 400.885 4.008 20 30 HIEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556711012 942930103 /nfs/dbraw/zinc/93/01/03/942930103.db2.gz CFEFJHKAFVUQLF-ICSRJNTNSA-N 1 2 400.885 4.008 20 30 HIEDLO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000564312527 945510007 /nfs/dbraw/zinc/51/00/07/945510007.db2.gz NHAQDFNNQCLARS-LLVKDONJSA-N 1 2 416.337 4.005 20 30 HIEDLO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000564312527 945510033 /nfs/dbraw/zinc/51/00/33/945510033.db2.gz NHAQDFNNQCLARS-LLVKDONJSA-N 1 2 416.337 4.005 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc4c(cc3OC(F)F)OCO4)CC2)c(F)c1 ZINC000564316838 945512898 /nfs/dbraw/zinc/51/28/98/945512898.db2.gz YXAHDSIYAJSXMX-UHFFFAOYSA-N 1 2 420.387 4.071 20 30 HIEDLO C[C@H](c1ccc2ccccc2c1)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000570314677 947192805 /nfs/dbraw/zinc/19/28/05/947192805.db2.gz FUBAHJJBSVIHCI-QGZVFWFLSA-N 1 2 405.523 4.106 20 30 HIEDLO C[C@H](c1ccc2ccccc2c1)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000570314677 947192821 /nfs/dbraw/zinc/19/28/21/947192821.db2.gz FUBAHJJBSVIHCI-QGZVFWFLSA-N 1 2 405.523 4.106 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572859377 948022855 /nfs/dbraw/zinc/02/28/55/948022855.db2.gz OVIZMYYMZGCMHR-IEBWSBKVSA-N 1 2 417.916 4.474 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572859377 948022868 /nfs/dbraw/zinc/02/28/68/948022868.db2.gz OVIZMYYMZGCMHR-IEBWSBKVSA-N 1 2 417.916 4.474 20 30 HIEDLO N#Cc1ccc(Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000573615475 948252108 /nfs/dbraw/zinc/25/21/08/948252108.db2.gz JHAHXTFCMKOEPQ-UHFFFAOYSA-N 1 2 420.498 4.184 20 30 HIEDLO N#Cc1ccc(C2(C(=O)NC[C@@H](c3c(F)cccc3Cl)[NH+]3CCCC3)CC2)cc1 ZINC000436101856 861385597 /nfs/dbraw/zinc/38/55/97/861385597.db2.gz MMCBSNJUCAGIFL-FQEVSTJZSA-N 1 2 411.908 4.336 20 30 HIEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)ccc1OCc1ccccc1 ZINC000008310254 845511781 /nfs/dbraw/zinc/51/17/81/845511781.db2.gz HGAHDIIAHPXPDM-UHFFFAOYSA-N 1 2 415.493 4.216 20 30 HIEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)ccc1OCc1ccccc1 ZINC000008310254 845511788 /nfs/dbraw/zinc/51/17/88/845511788.db2.gz HGAHDIIAHPXPDM-UHFFFAOYSA-N 1 2 415.493 4.216 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1cccs1 ZINC000021308985 846427198 /nfs/dbraw/zinc/42/71/98/846427198.db2.gz TXGIREFGLHDCNW-KRWDZBQOSA-N 1 2 423.460 4.042 20 30 HIEDLO C=CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1cccs1 ZINC000021308985 846427205 /nfs/dbraw/zinc/42/72/05/846427205.db2.gz TXGIREFGLHDCNW-KRWDZBQOSA-N 1 2 423.460 4.042 20 30 HIEDLO C[N@H+](CC(=O)Nc1nc(-c2ccccc2)cs1)Cc1ccccc1N1CCOCC1 ZINC000021318453 846428014 /nfs/dbraw/zinc/42/80/14/846428014.db2.gz GJTINDRXSBXTJI-UHFFFAOYSA-N 1 2 422.554 4.367 20 30 HIEDLO C[N@@H+](CC(=O)Nc1nc(-c2ccccc2)cs1)Cc1ccccc1N1CCOCC1 ZINC000021318453 846428020 /nfs/dbraw/zinc/42/80/20/846428020.db2.gz GJTINDRXSBXTJI-UHFFFAOYSA-N 1 2 422.554 4.367 20 30 HIEDLO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778769 846618989 /nfs/dbraw/zinc/61/89/89/846618989.db2.gz XQJCNTSEBQXRFH-HXUWFJFHSA-N 1 2 404.558 4.135 20 30 HIEDLO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1C ZINC000027104384 847248822 /nfs/dbraw/zinc/24/88/22/847248822.db2.gz DJJVNXBLCXARFE-UHFFFAOYSA-N 1 2 418.497 4.256 20 30 HIEDLO N#Cc1ccccc1CSCCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517293 848434363 /nfs/dbraw/zinc/43/43/63/848434363.db2.gz IEIWQPPMCIACIR-UHFFFAOYSA-N 1 2 415.588 4.056 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c1C#N ZINC000048273376 849201508 /nfs/dbraw/zinc/20/15/08/849201508.db2.gz YJJBKYLGYMRWNC-UHFFFAOYSA-N 1 2 415.541 4.269 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c1C#N ZINC000048273376 849201516 /nfs/dbraw/zinc/20/15/16/849201516.db2.gz YJJBKYLGYMRWNC-UHFFFAOYSA-N 1 2 415.541 4.269 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)c1C#N ZINC000053124946 849669882 /nfs/dbraw/zinc/66/98/82/849669882.db2.gz OZVOQFGRISSWKK-KRWDZBQOSA-N 1 2 408.477 4.389 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)c1C#N ZINC000053124946 849669889 /nfs/dbraw/zinc/66/98/89/849669889.db2.gz OZVOQFGRISSWKK-KRWDZBQOSA-N 1 2 408.477 4.389 20 30 HIEDLO C[C@H](c1nnc(SCCOc2cccc(C#N)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000053237356 849683664 /nfs/dbraw/zinc/68/36/64/849683664.db2.gz NNQPEZVJTHSEGB-OAHLLOKOSA-N 1 2 411.506 4.072 20 30 HIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)c1C ZINC000058957186 850968433 /nfs/dbraw/zinc/96/84/33/850968433.db2.gz STYOCTZIRRXFTE-UHFFFAOYSA-N 1 2 415.493 4.430 20 30 HIEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)cc1 ZINC000065473185 852147817 /nfs/dbraw/zinc/14/78/17/852147817.db2.gz ZGKCZDCNLYFCTO-UHFFFAOYSA-N 1 2 422.529 4.094 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1cccc(C#N)c1 ZINC000112571225 853232542 /nfs/dbraw/zinc/23/25/42/853232542.db2.gz LHHZXCXJJSOBAU-GOSISDBHSA-N 1 2 404.539 4.437 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1cccc(C#N)c1 ZINC000112571225 853232547 /nfs/dbraw/zinc/23/25/47/853232547.db2.gz LHHZXCXJJSOBAU-GOSISDBHSA-N 1 2 404.539 4.437 20 30 HIEDLO COc1cc(C[NH2+]Cc2ccc(C#N)cc2F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237305817 854002965 /nfs/dbraw/zinc/00/29/65/854002965.db2.gz JUZUYEKAZIZGCK-UHFFFAOYSA-N 1 2 421.428 4.483 20 30 HIEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301406886 854385306 /nfs/dbraw/zinc/38/53/06/854385306.db2.gz MGARANMEMJLUCT-CQSZACIVSA-N 1 2 423.423 4.176 20 30 HIEDLO C[C@H](c1nnc(Sc2ccc(Cl)c(C#N)n2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301502463 854408799 /nfs/dbraw/zinc/40/87/99/854408799.db2.gz FMILJMQYDVOYQF-LLVKDONJSA-N 1 2 402.886 4.100 20 30 HIEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303686108 855132351 /nfs/dbraw/zinc/13/23/51/855132351.db2.gz NWVLPKXCACJVLU-NSHDSACASA-N 1 2 400.338 4.162 20 30 HIEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303686108 855132355 /nfs/dbraw/zinc/13/23/55/855132355.db2.gz NWVLPKXCACJVLU-NSHDSACASA-N 1 2 400.338 4.162 20 30 HIEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000409727202 855622919 /nfs/dbraw/zinc/62/29/19/855622919.db2.gz KAROTVFDKIOCFS-AEFFLSMTSA-N 1 2 410.827 4.109 20 30 HIEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000409727202 855622922 /nfs/dbraw/zinc/62/29/22/855622922.db2.gz KAROTVFDKIOCFS-AEFFLSMTSA-N 1 2 410.827 4.109 20 30 HIEDLO N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410321698 855927341 /nfs/dbraw/zinc/92/73/41/855927341.db2.gz AELNQLBQFMQXKF-HXUWFJFHSA-N 1 2 406.530 4.046 20 30 HIEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426095598 856104806 /nfs/dbraw/zinc/10/48/06/856104806.db2.gz FWVRAMCZCHLCGM-RBBKRZOGSA-N 1 2 401.470 4.204 20 30 HIEDLO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000429276864 857587619 /nfs/dbraw/zinc/58/76/19/857587619.db2.gz UUCPMESGKCFNQP-UHFFFAOYSA-N 1 2 407.905 4.362 20 30 HIEDLO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000429276864 857587624 /nfs/dbraw/zinc/58/76/24/857587624.db2.gz UUCPMESGKCFNQP-UHFFFAOYSA-N 1 2 407.905 4.362 20 30 HIEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000429504101 857702774 /nfs/dbraw/zinc/70/27/74/857702774.db2.gz KQVPSVRAOONGPK-UHFFFAOYSA-N 1 2 400.482 4.464 20 30 HIEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)ccc1Br ZINC000430239616 858093309 /nfs/dbraw/zinc/09/33/09/858093309.db2.gz KWBJHYIJDQIFKQ-FQEVSTJZSA-N 1 2 412.331 4.083 20 30 HIEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)ccc1Br ZINC000430239616 858093319 /nfs/dbraw/zinc/09/33/19/858093319.db2.gz KWBJHYIJDQIFKQ-FQEVSTJZSA-N 1 2 412.331 4.083 20 30 HIEDLO C=CCC[C@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000434982201 860585081 /nfs/dbraw/zinc/58/50/81/860585081.db2.gz KGQSHRLLELOUMY-QHCPKHFHSA-N 1 2 420.557 4.096 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(-c2ccncc2)n1 ZINC000435126933 860652606 /nfs/dbraw/zinc/65/26/06/860652606.db2.gz SKMBYSTYJHJRKA-OAQYLSRUSA-N 1 2 407.905 4.086 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(-c2ccncc2)n1 ZINC000435126933 860652613 /nfs/dbraw/zinc/65/26/13/860652613.db2.gz SKMBYSTYJHJRKA-OAQYLSRUSA-N 1 2 407.905 4.086 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000435132160 860656044 /nfs/dbraw/zinc/65/60/44/860656044.db2.gz IGMVUFYLQDSNFX-RUZDIDTESA-N 1 2 408.509 4.265 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000435132160 860656046 /nfs/dbraw/zinc/65/60/46/860656046.db2.gz IGMVUFYLQDSNFX-RUZDIDTESA-N 1 2 408.509 4.265 20 30 HIEDLO COc1ccc(C#N)cc1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000435142713 860662619 /nfs/dbraw/zinc/66/26/19/860662619.db2.gz XNMCGQSMIHTEPO-UHFFFAOYSA-N 1 2 405.527 4.036 20 30 HIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438855411 864349243 /nfs/dbraw/zinc/34/92/43/864349243.db2.gz ZVBOSPCFLFYOIH-QFIPXVFZSA-N 1 2 405.546 4.375 20 30 HIEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439263158 864679890 /nfs/dbraw/zinc/67/98/90/864679890.db2.gz WRZPQLOGQRHSCA-FOIQADDNSA-N 1 2 406.368 4.071 20 30 HIEDLO COc1ccc(C#N)cc1C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000440267500 865515610 /nfs/dbraw/zinc/51/56/10/865515610.db2.gz DXXXKPVDIVYHJZ-UHFFFAOYSA-N 1 2 405.420 4.435 20 30 HIEDLO COc1ccc(C#N)cc1C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000440267500 865515631 /nfs/dbraw/zinc/51/56/31/865515631.db2.gz DXXXKPVDIVYHJZ-UHFFFAOYSA-N 1 2 405.420 4.435 20 30 HIEDLO N#Cc1cnc2c(Br)cccc2c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000440656433 865857555 /nfs/dbraw/zinc/85/75/55/865857555.db2.gz CLHGIWZQOGGXHO-UHFFFAOYSA-N 1 2 408.303 4.345 20 30 HIEDLO C=CCOc1ccccc1CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440804033 865923395 /nfs/dbraw/zinc/92/33/95/865923395.db2.gz VILFDSPXTDAOLT-QFIPXVFZSA-N 1 2 404.514 4.305 20 30 HIEDLO N#CCCN(C(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccccc1 ZINC000441020615 866087925 /nfs/dbraw/zinc/08/79/25/866087925.db2.gz OHEBBFHLUMCTII-QHCPKHFHSA-N 1 2 404.901 4.361 20 30 HIEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441344308 866415713 /nfs/dbraw/zinc/41/57/13/866415713.db2.gz CFHJROJDVVCKMO-INIZCTEOSA-N 1 2 407.905 4.140 20 30 HIEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccc(I)cc3)CC2)c1 ZINC000441467046 866541901 /nfs/dbraw/zinc/54/19/01/866541901.db2.gz BERCZGXJAJQOJW-UHFFFAOYSA-N 1 2 418.278 4.206 20 30 HIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1C ZINC000442049153 867084230 /nfs/dbraw/zinc/08/42/30/867084230.db2.gz BHZMVYZSBSMMHM-UHFFFAOYSA-N 1 2 408.380 4.141 20 30 HIEDLO N#Cc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1O ZINC000442951154 867762472 /nfs/dbraw/zinc/76/24/72/867762472.db2.gz GIXGCGYXJRDYRU-UHFFFAOYSA-N 1 2 408.461 4.106 20 30 HIEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000443481677 868065424 /nfs/dbraw/zinc/06/54/24/868065424.db2.gz GDZGGFVADOMZRR-UHFFFAOYSA-N 1 2 417.412 4.368 20 30 HIEDLO CCO[C@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cs1 ZINC000444238578 868687545 /nfs/dbraw/zinc/68/75/45/868687545.db2.gz LMNIHPTUDCUVLM-CYBMUJFWSA-N 1 2 406.939 4.226 20 30 HIEDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cs1 ZINC000444238578 868687553 /nfs/dbraw/zinc/68/75/53/868687553.db2.gz LMNIHPTUDCUVLM-CYBMUJFWSA-N 1 2 406.939 4.226 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000444692625 868960174 /nfs/dbraw/zinc/96/01/74/868960174.db2.gz FPONTSKWSWPKEC-MRXNPFEDSA-N 1 2 404.436 4.179 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000444692625 868960181 /nfs/dbraw/zinc/96/01/81/868960181.db2.gz FPONTSKWSWPKEC-MRXNPFEDSA-N 1 2 404.436 4.179 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1Cl ZINC000446956453 870861164 /nfs/dbraw/zinc/86/11/64/870861164.db2.gz GQLJGGPFJXDSBV-UHFFFAOYSA-N 1 2 412.902 4.212 20 30 HIEDLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000461362470 874364980 /nfs/dbraw/zinc/36/49/80/874364980.db2.gz KOEKPFMQGVORLA-PMACEKPBSA-N 1 2 422.598 4.478 20 30 HIEDLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000461362470 874364999 /nfs/dbraw/zinc/36/49/99/874364999.db2.gz KOEKPFMQGVORLA-PMACEKPBSA-N 1 2 422.598 4.478 20 30 HIEDLO NC(=O)[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000463745304 876867738 /nfs/dbraw/zinc/86/77/38/876867738.db2.gz MHWLPTQRULMDAC-ZBFHGGJFSA-N 1 2 424.316 4.014 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC(OCC3CC3)CC2)c1C#N ZINC000464817798 878071444 /nfs/dbraw/zinc/07/14/44/878071444.db2.gz ICCKJNICPWCZLO-UHFFFAOYSA-N 1 2 412.578 4.311 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000464846935 878120911 /nfs/dbraw/zinc/12/09/11/878120911.db2.gz BNEXJALDIANAMF-UZLBHIALSA-N 1 2 412.534 4.018 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000464846935 878120928 /nfs/dbraw/zinc/12/09/28/878120928.db2.gz BNEXJALDIANAMF-UZLBHIALSA-N 1 2 412.534 4.018 20 30 HIEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)o1 ZINC000467035477 880833524 /nfs/dbraw/zinc/83/35/24/880833524.db2.gz HPVLNRBDFONRHH-HXUWFJFHSA-N 1 2 415.921 4.472 20 30 HIEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)o1 ZINC000467035477 880833531 /nfs/dbraw/zinc/83/35/31/880833531.db2.gz HPVLNRBDFONRHH-HXUWFJFHSA-N 1 2 415.921 4.472 20 30 HIEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(C)c1 ZINC000469115936 883208851 /nfs/dbraw/zinc/20/88/51/883208851.db2.gz RWJVLECFRSQNJF-QFIPXVFZSA-N 1 2 411.465 4.198 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1ccc(Cl)cc1 ZINC000469260255 883356721 /nfs/dbraw/zinc/35/67/21/883356721.db2.gz ASQLMRSRNHXXGX-GHTZIAJQSA-N 1 2 406.873 4.042 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1ccc(Cl)cc1 ZINC000469260255 883356741 /nfs/dbraw/zinc/35/67/41/883356741.db2.gz ASQLMRSRNHXXGX-GHTZIAJQSA-N 1 2 406.873 4.042 20 30 HIEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000469433747 883619430 /nfs/dbraw/zinc/61/94/30/883619430.db2.gz HWOCFNWGRDGZLD-FQEVSTJZSA-N 1 2 401.491 4.398 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469461152 883672750 /nfs/dbraw/zinc/67/27/50/883672750.db2.gz PVTNGWQXJMLRNW-IRXDYDNUSA-N 1 2 413.468 4.098 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469461152 883672781 /nfs/dbraw/zinc/67/27/81/883672781.db2.gz PVTNGWQXJMLRNW-IRXDYDNUSA-N 1 2 413.468 4.098 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469461151 883673248 /nfs/dbraw/zinc/67/32/48/883673248.db2.gz PVTNGWQXJMLRNW-IAGOWNOFSA-N 1 2 413.468 4.098 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469461151 883673258 /nfs/dbraw/zinc/67/32/58/883673258.db2.gz PVTNGWQXJMLRNW-IAGOWNOFSA-N 1 2 413.468 4.098 20 30 HIEDLO Cc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)nn1-c1cccc(C#N)c1 ZINC000503635927 912737474 /nfs/dbraw/zinc/73/74/74/912737474.db2.gz GKUWQTYRFGIDGK-XMMPIXPASA-N 1 2 424.508 4.037 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470927069 885432143 /nfs/dbraw/zinc/43/21/43/885432143.db2.gz AUATZEYTDGWFPH-CRAIPNDOSA-N 1 2 404.436 4.177 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470927069 885432150 /nfs/dbraw/zinc/43/21/50/885432150.db2.gz AUATZEYTDGWFPH-CRAIPNDOSA-N 1 2 404.436 4.177 20 30 HIEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1O ZINC000471176520 885739041 /nfs/dbraw/zinc/73/90/41/885739041.db2.gz LNTMBJAJRXWVCK-CQSZACIVSA-N 1 2 413.543 4.062 20 30 HIEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1O ZINC000471176520 885739050 /nfs/dbraw/zinc/73/90/50/885739050.db2.gz LNTMBJAJRXWVCK-CQSZACIVSA-N 1 2 413.543 4.062 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471980481 886808859 /nfs/dbraw/zinc/80/88/59/886808859.db2.gz RSBFKZBTKVIVAT-FXAWDEMLSA-N 1 2 402.420 4.241 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471980481 886808867 /nfs/dbraw/zinc/80/88/67/886808867.db2.gz RSBFKZBTKVIVAT-FXAWDEMLSA-N 1 2 402.420 4.241 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000472309686 887137239 /nfs/dbraw/zinc/13/72/39/887137239.db2.gz DPCFRAKIRAHIRA-CRAIPNDOSA-N 1 2 422.382 4.005 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000472309686 887137243 /nfs/dbraw/zinc/13/72/43/887137243.db2.gz DPCFRAKIRAHIRA-CRAIPNDOSA-N 1 2 422.382 4.005 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000472309689 887137420 /nfs/dbraw/zinc/13/74/20/887137420.db2.gz DPCFRAKIRAHIRA-YJBOKZPZSA-N 1 2 422.382 4.005 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000472309689 887137427 /nfs/dbraw/zinc/13/74/27/887137427.db2.gz DPCFRAKIRAHIRA-YJBOKZPZSA-N 1 2 422.382 4.005 20 30 HIEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)n2)C1 ZINC000477686968 892810450 /nfs/dbraw/zinc/81/04/50/892810450.db2.gz QVVFOYROFDSZJN-AWEZNQCLSA-N 1 2 400.523 4.302 20 30 HIEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)n2)C1 ZINC000477686968 892810451 /nfs/dbraw/zinc/81/04/51/892810451.db2.gz QVVFOYROFDSZJN-AWEZNQCLSA-N 1 2 400.523 4.302 20 30 HIEDLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000479203357 894468519 /nfs/dbraw/zinc/46/85/19/894468519.db2.gz DPOFGRPULGMDDT-GOSISDBHSA-N 1 2 402.498 4.201 20 30 HIEDLO N#Cc1cc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1F ZINC000481713993 897104015 /nfs/dbraw/zinc/10/40/15/897104015.db2.gz POHZRUHKVJPNEZ-SFHVURJKSA-N 1 2 404.848 4.448 20 30 HIEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000505542968 914241303 /nfs/dbraw/zinc/24/13/03/914241303.db2.gz NOQGFAQKFBWGDK-QFIPXVFZSA-N 1 2 419.431 4.415 20 30 HIEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000483715828 899374063 /nfs/dbraw/zinc/37/40/63/899374063.db2.gz XEOLUHYBWZETON-NSHDSACASA-N 1 2 401.239 4.361 20 30 HIEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000484568592 900038901 /nfs/dbraw/zinc/03/89/01/900038901.db2.gz AYQCPUQCPDEUOE-LJQANCHMSA-N 1 2 403.866 4.062 20 30 HIEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000484568592 900038906 /nfs/dbraw/zinc/03/89/06/900038906.db2.gz AYQCPUQCPDEUOE-LJQANCHMSA-N 1 2 403.866 4.062 20 30 HIEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH+](Cc4cccs4)CC3)c2)cc1 ZINC000484893565 900276699 /nfs/dbraw/zinc/27/66/99/900276699.db2.gz NEXDTIMQZRMZII-UHFFFAOYSA-N 1 2 403.507 4.370 20 30 HIEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000487398750 902182679 /nfs/dbraw/zinc/18/26/79/902182679.db2.gz AYOPUIVKYQYRSG-UHFFFAOYSA-N 1 2 415.459 4.465 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)c1C#N ZINC000488523628 902869191 /nfs/dbraw/zinc/86/91/91/902869191.db2.gz QURCGDTXOAKIBQ-UHFFFAOYSA-N 1 2 422.479 4.374 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)c1C#N ZINC000488523628 902869193 /nfs/dbraw/zinc/86/91/93/902869193.db2.gz QURCGDTXOAKIBQ-UHFFFAOYSA-N 1 2 422.479 4.374 20 30 HIEDLO C[C@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000490042825 903737468 /nfs/dbraw/zinc/73/74/68/903737468.db2.gz JTTJTBWGXLMUIY-IUCAKERBSA-N 1 2 402.829 4.365 20 30 HIEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(C#N)c1C ZINC000490065661 903755545 /nfs/dbraw/zinc/75/55/45/903755545.db2.gz KNPDILADYDVQJH-OAHLLOKOSA-N 1 2 414.600 4.390 20 30 HIEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(C#N)c1C ZINC000490065661 903755550 /nfs/dbraw/zinc/75/55/50/903755550.db2.gz KNPDILADYDVQJH-OAHLLOKOSA-N 1 2 414.600 4.390 20 30 HIEDLO N#Cc1c(F)cccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000490288317 903877416 /nfs/dbraw/zinc/87/74/16/903877416.db2.gz RATUOMMEARPQJJ-UHFFFAOYSA-N 1 2 406.288 4.399 20 30 HIEDLO N#Cc1ccc(Br)c(C[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000493734907 905206590 /nfs/dbraw/zinc/20/65/90/905206590.db2.gz GMFPBULDARXMAT-UHFFFAOYSA-N 1 2 424.136 4.078 20 30 HIEDLO N#Cc1ccc(Br)c(C[N@@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000493734907 905206612 /nfs/dbraw/zinc/20/66/12/905206612.db2.gz GMFPBULDARXMAT-UHFFFAOYSA-N 1 2 424.136 4.078 20 30 HIEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000494236490 905564002 /nfs/dbraw/zinc/56/40/02/905564002.db2.gz DPCPDZJBPGECSQ-UHFFFAOYSA-N 1 2 403.486 4.082 20 30 HIEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(Br)c(F)c2)c(C#N)c1C ZINC000494241788 905568904 /nfs/dbraw/zinc/56/89/04/905568904.db2.gz OFDMCEWZOFWCFK-UHFFFAOYSA-N 1 2 410.312 4.209 20 30 HIEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(Br)c(F)c2)c(C#N)c1C ZINC000494241788 905568916 /nfs/dbraw/zinc/56/89/16/905568916.db2.gz OFDMCEWZOFWCFK-UHFFFAOYSA-N 1 2 410.312 4.209 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000512542147 921225185 /nfs/dbraw/zinc/22/51/85/921225185.db2.gz LLUBEAYYOFQOEF-IBGZPJMESA-N 1 2 411.525 4.317 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000512542147 921225190 /nfs/dbraw/zinc/22/51/90/921225190.db2.gz LLUBEAYYOFQOEF-IBGZPJMESA-N 1 2 411.525 4.317 20 30 HIEDLO COc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(OC)c1C(C)C ZINC000495305718 906368279 /nfs/dbraw/zinc/36/82/79/906368279.db2.gz WNGNALNGAHAGAA-UHFFFAOYSA-N 1 2 422.529 4.049 20 30 HIEDLO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512816375 921321459 /nfs/dbraw/zinc/32/14/59/921321459.db2.gz GRQAHICDHZFORJ-INIZCTEOSA-N 1 2 406.461 4.276 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)c(F)c1 ZINC000512818312 921323156 /nfs/dbraw/zinc/32/31/56/921323156.db2.gz RNBVNAGOHVNMOD-UHFFFAOYSA-N 1 2 401.388 4.214 20 30 HIEDLO N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000498129092 907647705 /nfs/dbraw/zinc/64/77/05/907647705.db2.gz IDBRSWXGPFHCAE-UHFFFAOYSA-N 1 2 402.523 4.215 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000498507787 907979841 /nfs/dbraw/zinc/97/98/41/907979841.db2.gz HMSJICRCMMAJHL-UHFFFAOYSA-N 1 2 422.488 4.312 20 30 HIEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000506771781 915483197 /nfs/dbraw/zinc/48/31/97/915483197.db2.gz JWHIJVPEDJVTJK-UHFFFAOYSA-N 1 2 401.514 4.097 20 30 HIEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000506771781 915483215 /nfs/dbraw/zinc/48/32/15/915483215.db2.gz JWHIJVPEDJVTJK-UHFFFAOYSA-N 1 2 401.514 4.097 20 30 HIEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507849631 916671455 /nfs/dbraw/zinc/67/14/55/916671455.db2.gz SJMXXSZBGKSVQC-HNNXBMFYSA-N 1 2 413.905 4.091 20 30 HIEDLO Cc1sc2nc([C@H](C)[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)nc(N)c2c1C ZINC000507858282 916687144 /nfs/dbraw/zinc/68/71/44/916687144.db2.gz CTKNLBDVSDJSAS-AWEZNQCLSA-N 1 2 407.543 4.366 20 30 HIEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000508884741 917638660 /nfs/dbraw/zinc/63/86/60/917638660.db2.gz JFMIKFUUTWBLGA-UHFFFAOYSA-N 1 2 417.435 4.065 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)Nc4ccc(C#N)c(Cl)c4)CC3)c2c1 ZINC000509558666 918208363 /nfs/dbraw/zinc/20/83/63/918208363.db2.gz QRWVPYUXBXTNJG-UHFFFAOYSA-N 1 2 420.900 4.429 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)Nc4ccc(C#N)c(Cl)c4)CC3)c2c1 ZINC000509558666 918208378 /nfs/dbraw/zinc/20/83/78/918208378.db2.gz QRWVPYUXBXTNJG-UHFFFAOYSA-N 1 2 420.900 4.429 20 30 HIEDLO COc1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1OCCCC#N ZINC000510489077 918938932 /nfs/dbraw/zinc/93/89/32/918938932.db2.gz MEJJYRMKIWPRSF-UHFFFAOYSA-N 1 2 402.498 4.122 20 30 HIEDLO COc1ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1OCCCC#N ZINC000510489077 918938939 /nfs/dbraw/zinc/93/89/39/918938939.db2.gz MEJJYRMKIWPRSF-UHFFFAOYSA-N 1 2 402.498 4.122 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000511076502 919677662 /nfs/dbraw/zinc/67/76/62/919677662.db2.gz XTEPZOFUWNYQAT-SFHVURJKSA-N 1 2 422.472 4.230 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000511076502 919677680 /nfs/dbraw/zinc/67/76/80/919677680.db2.gz XTEPZOFUWNYQAT-SFHVURJKSA-N 1 2 422.472 4.230 20 30 HIEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@H](CCO)c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000512193215 920937367 /nfs/dbraw/zinc/93/73/67/920937367.db2.gz CVTORMJECPMVON-QGZVFWFLSA-N 1 2 403.269 4.128 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(-c2ccccc2)n1 ZINC000513754769 922074872 /nfs/dbraw/zinc/07/48/72/922074872.db2.gz NHDQVIHYSXKZFB-QFIPXVFZSA-N 1 2 408.452 4.315 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(-c2ccccc2)n1 ZINC000513754769 922074886 /nfs/dbraw/zinc/07/48/86/922074886.db2.gz NHDQVIHYSXKZFB-QFIPXVFZSA-N 1 2 408.452 4.315 20 30 HIEDLO C=CC[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518253149 927109629 /nfs/dbraw/zinc/10/96/29/927109629.db2.gz UWNVFCPLTYLWOB-HNNXBMFYSA-N 1 2 421.892 4.115 20 30 HIEDLO C=CC[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518253149 927109648 /nfs/dbraw/zinc/10/96/48/927109648.db2.gz UWNVFCPLTYLWOB-HNNXBMFYSA-N 1 2 421.892 4.115 20 30 HIEDLO N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc2)cc1 ZINC000518553892 927342369 /nfs/dbraw/zinc/34/23/69/927342369.db2.gz NOMSMOXJVXEEFV-UHFFFAOYSA-N 1 2 409.449 4.437 20 30 HIEDLO C=CC[N@H+](Cc1csc(-c2ccc(C)o2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518751188 927475538 /nfs/dbraw/zinc/47/55/38/927475538.db2.gz JGSFAKFKVQWNIY-MRXNPFEDSA-N 1 2 406.515 4.436 20 30 HIEDLO C=CC[N@@H+](Cc1csc(-c2ccc(C)o2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518751188 927475545 /nfs/dbraw/zinc/47/55/45/927475545.db2.gz JGSFAKFKVQWNIY-MRXNPFEDSA-N 1 2 406.515 4.436 20 30 HIEDLO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)Cc1cccc(C#N)c1 ZINC000520137774 928333776 /nfs/dbraw/zinc/33/37/76/928333776.db2.gz OHFHVEFEYJNARP-UHFFFAOYSA-N 1 2 401.432 4.137 20 30 HIEDLO C=CC[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)Cc1cccc(C#N)c1 ZINC000520137774 928333791 /nfs/dbraw/zinc/33/37/91/928333791.db2.gz OHFHVEFEYJNARP-UHFFFAOYSA-N 1 2 401.432 4.137 20 30 HIEDLO C=CC[N@@H+](Cc1nc(-c2ccc(CC)cc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520194917 928381403 /nfs/dbraw/zinc/38/14/03/928381403.db2.gz LEHAIHMUSOBUQO-QGZVFWFLSA-N 1 2 415.501 4.024 20 30 HIEDLO C=CC[N@H+](Cc1nc(-c2ccc(CC)cc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520194917 928381412 /nfs/dbraw/zinc/38/14/12/928381412.db2.gz LEHAIHMUSOBUQO-QGZVFWFLSA-N 1 2 415.501 4.024 20 30 HIEDLO N#CCCCOc1cccc(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000524829034 929848652 /nfs/dbraw/zinc/84/86/52/929848652.db2.gz HXKJUYRGAWDBOW-UHFFFAOYSA-N 1 2 405.458 4.289 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000525249132 930105748 /nfs/dbraw/zinc/10/57/48/930105748.db2.gz TVKGYBZSNAVWCL-WZONZLPQSA-N 1 2 403.482 4.303 20 30 HIEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)CCC1 ZINC000527377398 930651617 /nfs/dbraw/zinc/65/16/17/930651617.db2.gz HGHNNWBTJHKUGW-UHFFFAOYSA-N 1 2 417.431 4.492 20 30 HIEDLO N#CC1(NC(=O)C[N@H+](Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)CCC1 ZINC000527377398 930651630 /nfs/dbraw/zinc/65/16/30/930651630.db2.gz HGHNNWBTJHKUGW-UHFFFAOYSA-N 1 2 417.431 4.492 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000530780941 930822248 /nfs/dbraw/zinc/82/22/48/930822248.db2.gz AXSIZYMVAYUOKW-UHFFFAOYSA-N 1 2 420.431 4.355 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000533281832 931827443 /nfs/dbraw/zinc/82/74/43/931827443.db2.gz UPTDIMSNHSHHMY-UHFFFAOYSA-N 1 2 415.603 4.064 20 30 HIEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc4sc5c(c4c(N)n3)CCCC5)CC2)c1 ZINC000533287365 931828408 /nfs/dbraw/zinc/82/84/08/931828408.db2.gz FWHKLAHFHURDTO-UHFFFAOYSA-N 1 2 419.554 4.067 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2Cc3ccccc3C[C@H]2C)c1C#N ZINC000533300554 931833039 /nfs/dbraw/zinc/83/30/39/931833039.db2.gz DJCZHJUDGWCHGJ-MRXNPFEDSA-N 1 2 402.498 4.003 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2Cc3ccccc3C[C@H]2C)c1C#N ZINC000533300554 931833040 /nfs/dbraw/zinc/83/30/40/931833040.db2.gz DJCZHJUDGWCHGJ-MRXNPFEDSA-N 1 2 402.498 4.003 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c1C#N ZINC000533471685 931877707 /nfs/dbraw/zinc/87/77/07/931877707.db2.gz HFSMQNOWRQWQCY-JOCHJYFZSA-N 1 2 419.504 4.219 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c1C#N ZINC000533471685 931877708 /nfs/dbraw/zinc/87/77/08/931877708.db2.gz HFSMQNOWRQWQCY-JOCHJYFZSA-N 1 2 419.504 4.219 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)C1=O ZINC000533606587 931919189 /nfs/dbraw/zinc/91/91/89/931919189.db2.gz FOGMLWVMDMPMTD-QAPCUYQASA-N 1 2 415.946 4.169 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)C1=O ZINC000533606587 931919199 /nfs/dbraw/zinc/91/91/99/931919199.db2.gz FOGMLWVMDMPMTD-QAPCUYQASA-N 1 2 415.946 4.169 20 30 HIEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000535968323 933530300 /nfs/dbraw/zinc/53/03/00/933530300.db2.gz AOOSBDBPCHDANC-QGZVFWFLSA-N 1 2 417.469 4.114 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000537994226 938454596 /nfs/dbraw/zinc/45/45/96/938454596.db2.gz BPSRMEXCHHIJNS-UHFFFAOYSA-N 1 2 422.472 4.230 20 30 HIEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000538161555 938529965 /nfs/dbraw/zinc/52/99/65/938529965.db2.gz AEVWQQFEBNOWMI-CYBMUJFWSA-N 1 2 402.376 4.400 20 30 HIEDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000538243932 938571952 /nfs/dbraw/zinc/57/19/52/938571952.db2.gz XWRRZTVOXIXFPN-GJZGRUSLSA-N 1 2 401.507 4.375 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539133233 938808692 /nfs/dbraw/zinc/80/86/92/938808692.db2.gz QUKMTRYVDFIGRR-TZIWHRDSSA-N 1 2 417.937 4.395 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539133233 938808694 /nfs/dbraw/zinc/80/86/94/938808694.db2.gz QUKMTRYVDFIGRR-TZIWHRDSSA-N 1 2 417.937 4.395 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539156450 938813148 /nfs/dbraw/zinc/81/31/48/938813148.db2.gz YHXCEDXYJZGDEK-NHCUHLMSSA-N 1 2 414.912 4.328 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539156450 938813151 /nfs/dbraw/zinc/81/31/51/938813151.db2.gz YHXCEDXYJZGDEK-NHCUHLMSSA-N 1 2 414.912 4.328 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541154725 939478570 /nfs/dbraw/zinc/47/85/70/939478570.db2.gz WDUKJHOZMOBVDC-PZJWPPBQSA-N 1 2 421.463 4.273 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541154725 939478575 /nfs/dbraw/zinc/47/85/75/939478575.db2.gz WDUKJHOZMOBVDC-PZJWPPBQSA-N 1 2 421.463 4.273 20 30 HIEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cs1 ZINC000541644493 939584316 /nfs/dbraw/zinc/58/43/16/939584316.db2.gz PWUUXUPENMQPRD-MRXNPFEDSA-N 1 2 421.570 4.333 20 30 HIEDLO N#CCC1CC[NH+](CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)CC1 ZINC000541954647 939661657 /nfs/dbraw/zinc/66/16/57/939661657.db2.gz PWXCXXKOXVNWOZ-UHFFFAOYSA-N 1 2 408.571 4.181 20 30 HIEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)n1 ZINC000542579931 939845915 /nfs/dbraw/zinc/84/59/15/939845915.db2.gz CJONREOGQFJFOU-CQSZACIVSA-N 1 2 411.506 4.159 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000542616907 939849057 /nfs/dbraw/zinc/84/90/57/939849057.db2.gz KXNOELVYXJHHOX-OAHLLOKOSA-N 1 2 423.542 4.029 20 30 HIEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@H](C)O1 ZINC000544236959 940364059 /nfs/dbraw/zinc/36/40/59/940364059.db2.gz YEZDWVHCSDCYQE-KDURUIRLSA-N 1 2 418.541 4.364 20 30 HIEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@H](C)O1 ZINC000544236959 940364064 /nfs/dbraw/zinc/36/40/64/940364064.db2.gz YEZDWVHCSDCYQE-KDURUIRLSA-N 1 2 418.541 4.364 20 30 HIEDLO COc1cccc(-c2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)cs2)c1OC ZINC000563914036 945324289 /nfs/dbraw/zinc/32/42/89/945324289.db2.gz ZXEWYGCADQDZFD-UHFFFAOYSA-N 1 2 423.538 4.348 20 30 HIEDLO COc1cccc(-c2nc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)cs2)c1OC ZINC000563914036 945324303 /nfs/dbraw/zinc/32/43/03/945324303.db2.gz ZXEWYGCADQDZFD-UHFFFAOYSA-N 1 2 423.538 4.348 20 30 HIEDLO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000549697323 941204927 /nfs/dbraw/zinc/20/49/27/941204927.db2.gz YOXPUQNGQOVLFC-UHFFFAOYSA-N 1 2 422.964 4.200 20 30 HIEDLO COC(=O)c1cccc(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1C#N ZINC000550391292 941321168 /nfs/dbraw/zinc/32/11/68/941321168.db2.gz CUKLWAMSPLEPPP-UHFFFAOYSA-N 1 2 407.297 4.036 20 30 HIEDLO COC(=O)c1cccc(C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1C#N ZINC000550391292 941321170 /nfs/dbraw/zinc/32/11/70/941321170.db2.gz CUKLWAMSPLEPPP-UHFFFAOYSA-N 1 2 407.297 4.036 20 30 HIEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000552553574 941706212 /nfs/dbraw/zinc/70/62/12/941706212.db2.gz VGIKMPIMXZHVBV-UHFFFAOYSA-N 1 2 403.461 4.251 20 30 HIEDLO C[C@H](c1nnc(Sc2nccc(C#N)c2Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000553250783 941856724 /nfs/dbraw/zinc/85/67/24/941856724.db2.gz MZCJNXFDJGRDKT-LLVKDONJSA-N 1 2 402.886 4.100 20 30 HIEDLO N#Cc1ccncc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000553962786 942008366 /nfs/dbraw/zinc/00/83/66/942008366.db2.gz OYVFNJROTLFJHE-UHFFFAOYSA-N 1 2 422.941 4.293 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554847852 942285527 /nfs/dbraw/zinc/28/55/27/942285527.db2.gz GFGAEFNFTSHFQN-MLGOLLRUSA-N 1 2 411.493 4.490 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554847852 942285539 /nfs/dbraw/zinc/28/55/39/942285539.db2.gz GFGAEFNFTSHFQN-MLGOLLRUSA-N 1 2 411.493 4.490 20 30 HIEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1OCC ZINC000555368311 942498098 /nfs/dbraw/zinc/49/80/98/942498098.db2.gz XBFZELRGRSADMG-ZDUSSCGKSA-N 1 2 406.267 4.226 20 30 HIEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1OCC ZINC000555368311 942498102 /nfs/dbraw/zinc/49/81/02/942498102.db2.gz XBFZELRGRSADMG-ZDUSSCGKSA-N 1 2 406.267 4.226 20 30 HIEDLO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000555549375 942638014 /nfs/dbraw/zinc/63/80/14/942638014.db2.gz CHLABNOPWCPEBM-UHFFFAOYSA-N 1 2 417.459 4.461 20 30 HIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000558102145 943379563 /nfs/dbraw/zinc/37/95/63/943379563.db2.gz PXUXDWKTCODKGR-UHFFFAOYSA-N 1 2 422.330 4.485 20 30 HIEDLO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000558628932 943621487 /nfs/dbraw/zinc/62/14/87/943621487.db2.gz IMQHRAYZUNZPQN-VQTJNVASSA-N 1 2 412.537 4.358 20 30 HIEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000558629080 943621659 /nfs/dbraw/zinc/62/16/59/943621659.db2.gz PVLBQQISYXZBTJ-FQEVSTJZSA-N 1 2 404.558 4.015 20 30 HIEDLO N#Cc1ccc(N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)c(F)c1 ZINC000558937607 943759383 /nfs/dbraw/zinc/75/93/83/943759383.db2.gz IBEGJFIIUCTNHE-UHFFFAOYSA-N 1 2 411.278 4.335 20 30 HIEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)n2)c1 ZINC000569416472 946872932 /nfs/dbraw/zinc/87/29/32/946872932.db2.gz WOLYUHBMTYLDMK-GFCCVEGCSA-N 1 2 402.376 4.486 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000570749223 947343547 /nfs/dbraw/zinc/34/35/47/947343547.db2.gz NESGRNIHWXRLRW-LAUBAEHRSA-N 1 2 409.555 4.265 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000570749223 947343562 /nfs/dbraw/zinc/34/35/62/947343562.db2.gz NESGRNIHWXRLRW-LAUBAEHRSA-N 1 2 409.555 4.265 20 30 HIEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C2 ZINC000573610541 948249010 /nfs/dbraw/zinc/24/90/10/948249010.db2.gz PQMGGPPBFDUQEH-UHFFFAOYSA-N 1 2 409.917 4.143 20 30 HIEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C2 ZINC000573610541 948249019 /nfs/dbraw/zinc/24/90/19/948249019.db2.gz PQMGGPPBFDUQEH-UHFFFAOYSA-N 1 2 409.917 4.143 20 30 HIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000436158260 861459645 /nfs/dbraw/zinc/45/96/45/861459645.db2.gz TTXVLXRYELUOEB-VQTJNVASSA-N 1 2 409.559 4.433 20 30 HIEDLO C=CCn1c2nn(C[N@@H+]3CCC[C@H]3c3ccccc3)c(=S)n2c2ccccc2c1=O ZINC000014307774 845935469 /nfs/dbraw/zinc/93/54/69/845935469.db2.gz BGWXFOKDVGSBEM-IBGZPJMESA-N 1 2 417.538 4.161 20 30 HIEDLO C=CCn1c2nn(C[N@H+]3CCC[C@H]3c3ccccc3)c(=S)n2c2ccccc2c1=O ZINC000014307774 845935474 /nfs/dbraw/zinc/93/54/74/845935474.db2.gz BGWXFOKDVGSBEM-IBGZPJMESA-N 1 2 417.538 4.161 20 30 HIEDLO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3cccc(C#N)c3)[C@@H](c3ccco3)C2)cc1 ZINC000026325476 847126495 /nfs/dbraw/zinc/12/64/95/847126495.db2.gz OVULQERLHXYQDS-HSZRJFAPSA-N 1 2 412.493 4.269 20 30 HIEDLO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3cccc(C#N)c3)[C@@H](c3ccco3)C2)cc1 ZINC000026325476 847126503 /nfs/dbraw/zinc/12/65/03/847126503.db2.gz OVULQERLHXYQDS-HSZRJFAPSA-N 1 2 412.493 4.269 20 30 HIEDLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)Cc1cccc(C#N)c1 ZINC000026326011 847127068 /nfs/dbraw/zinc/12/70/68/847127068.db2.gz ZAALEIGHVWFUDS-LJQANCHMSA-N 1 2 404.495 4.022 20 30 HIEDLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)Cc1cccc(C#N)c1 ZINC000026326011 847127071 /nfs/dbraw/zinc/12/70/71/847127071.db2.gz ZAALEIGHVWFUDS-LJQANCHMSA-N 1 2 404.495 4.022 20 30 HIEDLO C=CCOc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1OC ZINC000028684971 847447640 /nfs/dbraw/zinc/44/76/40/847447640.db2.gz RFLCXYGGRKAZBD-OAHLLOKOSA-N 1 2 401.532 4.201 20 30 HIEDLO C=CCOc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1OC ZINC000028684971 847447645 /nfs/dbraw/zinc/44/76/45/847447645.db2.gz RFLCXYGGRKAZBD-OAHLLOKOSA-N 1 2 401.532 4.201 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1cccs1 ZINC000029598543 847585188 /nfs/dbraw/zinc/58/51/88/847585188.db2.gz LWFKCQAXAXMUJZ-UHFFFAOYSA-N 1 2 400.935 4.273 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1cccs1 ZINC000029598543 847585198 /nfs/dbraw/zinc/58/51/98/847585198.db2.gz LWFKCQAXAXMUJZ-UHFFFAOYSA-N 1 2 400.935 4.273 20 30 HIEDLO N#Cc1ccccc1COc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000032058476 847983957 /nfs/dbraw/zinc/98/39/57/847983957.db2.gz DQYOZPRKRAVIGA-UHFFFAOYSA-N 1 2 422.488 4.312 20 30 HIEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000033219727 848126987 /nfs/dbraw/zinc/12/69/87/848126987.db2.gz QCWGGIWAXOOZQG-UHFFFAOYSA-N 1 2 417.534 4.157 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000045031692 848625973 /nfs/dbraw/zinc/62/59/73/848625973.db2.gz AQYBEGNHGKAJKI-UHFFFAOYSA-N 1 2 403.486 4.278 20 30 HIEDLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000046527215 848866935 /nfs/dbraw/zinc/86/69/35/848866935.db2.gz OXGBUBKJBMTTCO-LJQANCHMSA-N 1 2 404.495 4.022 20 30 HIEDLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000046527215 848866940 /nfs/dbraw/zinc/86/69/40/848866940.db2.gz OXGBUBKJBMTTCO-LJQANCHMSA-N 1 2 404.495 4.022 20 30 HIEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000078718975 852527191 /nfs/dbraw/zinc/52/71/91/852527191.db2.gz HWNIWIZGUCINPH-CQSZACIVSA-N 1 2 416.224 4.082 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)c1C#N ZINC000137546080 853377179 /nfs/dbraw/zinc/37/71/79/853377179.db2.gz YYMDLLKDUPWSDR-UHFFFAOYSA-N 1 2 422.479 4.374 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2cccc(F)c2)c1C#N ZINC000137546080 853377184 /nfs/dbraw/zinc/37/71/84/853377184.db2.gz YYMDLLKDUPWSDR-UHFFFAOYSA-N 1 2 422.479 4.374 20 30 HIEDLO CCc1cccc(C)c1NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000138969142 853400842 /nfs/dbraw/zinc/40/08/42/853400842.db2.gz SLWUAFPGXRCVBS-UHFFFAOYSA-N 1 2 417.509 4.412 20 30 HIEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(C#N)o2)c2ccc(Cl)cc2)c1 ZINC000237473370 854041234 /nfs/dbraw/zinc/04/12/34/854041234.db2.gz WJSCSJGTVCEDOS-HXUWFJFHSA-N 1 2 400.887 4.087 20 30 HIEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000410148160 855838489 /nfs/dbraw/zinc/83/84/89/855838489.db2.gz DTHMDPUNEXFPTH-INIZCTEOSA-N 1 2 416.447 4.165 20 30 HIEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2C1 ZINC000410331720 855933472 /nfs/dbraw/zinc/93/34/72/855933472.db2.gz DBHSPYRLKZWSRL-UHFFFAOYSA-N 1 2 409.433 4.102 20 30 HIEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2C1 ZINC000410331720 855933475 /nfs/dbraw/zinc/93/34/75/855933475.db2.gz DBHSPYRLKZWSRL-UHFFFAOYSA-N 1 2 409.433 4.102 20 30 HIEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCC(OC)CC3)sc2C1 ZINC000426401123 856276036 /nfs/dbraw/zinc/27/60/36/856276036.db2.gz NIWSXUBCBHURDI-OAHLLOKOSA-N 1 2 403.592 4.210 20 30 HIEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)nc1 ZINC000428793254 857342960 /nfs/dbraw/zinc/34/29/60/857342960.db2.gz JOXXEUFKFGPWBU-LJQANCHMSA-N 1 2 410.930 4.307 20 30 HIEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)nc1 ZINC000428793254 857342963 /nfs/dbraw/zinc/34/29/63/857342963.db2.gz JOXXEUFKFGPWBU-LJQANCHMSA-N 1 2 410.930 4.307 20 30 HIEDLO COc1ccc(C#N)cc1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000432014520 858927098 /nfs/dbraw/zinc/92/70/98/858927098.db2.gz OWLWTEFSHHQCNI-UHFFFAOYSA-N 1 2 409.877 4.151 20 30 HIEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)cc1OC ZINC000432952214 859445006 /nfs/dbraw/zinc/44/50/06/859445006.db2.gz WQYUYIIVXMKJJW-GOSISDBHSA-N 1 2 411.527 4.095 20 30 HIEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)cc1OC ZINC000432952214 859445012 /nfs/dbraw/zinc/44/50/12/859445012.db2.gz WQYUYIIVXMKJJW-GOSISDBHSA-N 1 2 411.527 4.095 20 30 HIEDLO Cc1cnc(C2CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)s1 ZINC000433138156 859536472 /nfs/dbraw/zinc/53/64/72/859536472.db2.gz RBMNCGDFVPVQQK-ZDUSSCGKSA-N 1 2 400.573 4.080 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000433241073 859585479 /nfs/dbraw/zinc/58/54/79/859585479.db2.gz ASQRFTPMXRWDGF-OAQYLSRUSA-N 1 2 400.438 4.431 20 30 HIEDLO C=CCC[C@@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000434288012 860254628 /nfs/dbraw/zinc/25/46/28/860254628.db2.gz PMTVGSFDNPHRFL-VQIMIIECSA-N 1 2 413.484 4.075 20 30 HIEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1OCC(F)(F)F ZINC000434979030 860583805 /nfs/dbraw/zinc/58/38/05/860583805.db2.gz QPONGTCFSHZTQX-IBGZPJMESA-N 1 2 419.447 4.019 20 30 HIEDLO CCOc1c(Br)cc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000434989400 860588371 /nfs/dbraw/zinc/58/83/71/860588371.db2.gz AIILYTHUJFPNDS-UHFFFAOYSA-N 1 2 407.283 4.499 20 30 HIEDLO CCOc1c(Br)cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000434989400 860588379 /nfs/dbraw/zinc/58/83/79/860588379.db2.gz AIILYTHUJFPNDS-UHFFFAOYSA-N 1 2 407.283 4.499 20 30 HIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000435048311 860614072 /nfs/dbraw/zinc/61/40/72/860614072.db2.gz HKMRRYDNRPHUGY-HXUWFJFHSA-N 1 2 402.523 4.304 20 30 HIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000435048311 860614075 /nfs/dbraw/zinc/61/40/75/860614075.db2.gz HKMRRYDNRPHUGY-HXUWFJFHSA-N 1 2 402.523 4.304 20 30 HIEDLO N#Cc1cc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)ccc1Cl ZINC000435195845 860691069 /nfs/dbraw/zinc/69/10/69/860691069.db2.gz AOFQQPIDMJAIHZ-UHFFFAOYSA-N 1 2 400.891 4.089 20 30 HIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442078029 867107644 /nfs/dbraw/zinc/10/76/44/867107644.db2.gz KPMYZHRIZHTQHG-CYBMUJFWSA-N 1 2 424.448 4.429 20 30 HIEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444253534 868699717 /nfs/dbraw/zinc/69/97/17/868699717.db2.gz ZNCAYBOTBQPGTI-UHFFFAOYSA-N 1 2 416.525 4.338 20 30 HIEDLO N#Cc1c(F)cccc1Oc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000445823558 869845227 /nfs/dbraw/zinc/84/52/27/869845227.db2.gz GSBJDGUVKRSFTE-HRAATJIYSA-N 1 2 420.444 4.465 20 30 HIEDLO N#Cc1c(F)cccc1Oc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000445823558 869845228 /nfs/dbraw/zinc/84/52/28/869845228.db2.gz GSBJDGUVKRSFTE-HRAATJIYSA-N 1 2 420.444 4.465 20 30 HIEDLO CC(C)[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000468504938 882503685 /nfs/dbraw/zinc/50/36/85/882503685.db2.gz CKHAZEFVSGXGSR-JOCHJYFZSA-N 1 2 412.484 4.061 20 30 HIEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000462908633 875933726 /nfs/dbraw/zinc/93/37/26/875933726.db2.gz CDHMHICENFLPAI-OAHLLOKOSA-N 1 2 422.330 4.147 20 30 HIEDLO COc1ccc(C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2CC2)c(OC)c1 ZINC000503241145 912220229 /nfs/dbraw/zinc/22/02/29/912220229.db2.gz IWQJZIBMLURSPN-UHFFFAOYSA-N 1 2 404.470 4.038 20 30 HIEDLO COc1ccc(C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC2CC2)c(OC)c1 ZINC000503241145 912220247 /nfs/dbraw/zinc/22/02/47/912220247.db2.gz IWQJZIBMLURSPN-UHFFFAOYSA-N 1 2 404.470 4.038 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000464560752 877779148 /nfs/dbraw/zinc/77/91/48/877779148.db2.gz OTOZDXPWNUXPAI-FQEVSTJZSA-N 1 2 416.525 4.376 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2c2ccccc2)sc2c1CCCCC2 ZINC000464839935 878106116 /nfs/dbraw/zinc/10/61/16/878106116.db2.gz RTWASZQQLJRQJP-FQEVSTJZSA-N 1 2 409.555 4.291 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2c2ccccc2)sc2c1CCCCC2 ZINC000464839935 878106133 /nfs/dbraw/zinc/10/61/33/878106133.db2.gz RTWASZQQLJRQJP-FQEVSTJZSA-N 1 2 409.555 4.291 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1csc(Br)c1 ZINC000467186518 880914133 /nfs/dbraw/zinc/91/41/33/880914133.db2.gz MYPKWNWBDHYOCM-CQSZACIVSA-N 1 2 406.349 4.278 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1csc(Br)c1 ZINC000467186518 880914142 /nfs/dbraw/zinc/91/41/42/880914142.db2.gz MYPKWNWBDHYOCM-CQSZACIVSA-N 1 2 406.349 4.278 20 30 HIEDLO C[N@H+](Cc1cccc(C#N)c1F)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467276728 881020945 /nfs/dbraw/zinc/02/09/45/881020945.db2.gz BKOVYBBMEBGSCW-UHFFFAOYSA-N 1 2 421.310 4.242 20 30 HIEDLO C[N@@H+](Cc1cccc(C#N)c1F)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467276728 881020964 /nfs/dbraw/zinc/02/09/64/881020964.db2.gz BKOVYBBMEBGSCW-UHFFFAOYSA-N 1 2 421.310 4.242 20 30 HIEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O ZINC000467511958 881326323 /nfs/dbraw/zinc/32/63/23/881326323.db2.gz MKMQUVNGMUSFJF-KRWDZBQOSA-N 1 2 415.877 4.259 20 30 HIEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O ZINC000467511958 881326338 /nfs/dbraw/zinc/32/63/38/881326338.db2.gz MKMQUVNGMUSFJF-KRWDZBQOSA-N 1 2 415.877 4.259 20 30 HIEDLO C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469381698 883519738 /nfs/dbraw/zinc/51/97/38/883519738.db2.gz PWDGNLPMDNQMID-KKSFZXQISA-N 1 2 404.445 4.409 20 30 HIEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000469993750 884208894 /nfs/dbraw/zinc/20/88/94/884208894.db2.gz VDOSBMIYPUFGIR-UHFFFAOYSA-N 1 2 409.433 4.271 20 30 HIEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000469993750 884208915 /nfs/dbraw/zinc/20/89/15/884208915.db2.gz VDOSBMIYPUFGIR-UHFFFAOYSA-N 1 2 409.433 4.271 20 30 HIEDLO C=CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)Cc1cccc(C#N)c1 ZINC000470368806 884765683 /nfs/dbraw/zinc/76/56/83/884765683.db2.gz FTXFEVIZNHSRIC-UHFFFAOYSA-N 1 2 406.917 4.455 20 30 HIEDLO C=CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)Cc1cccc(C#N)c1 ZINC000470368806 884765698 /nfs/dbraw/zinc/76/56/98/884765698.db2.gz FTXFEVIZNHSRIC-UHFFFAOYSA-N 1 2 406.917 4.455 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c1C#N ZINC000471018938 885521416 /nfs/dbraw/zinc/52/14/16/885521416.db2.gz QFZYUSPXPYDOEM-WAIKUNEKSA-N 1 2 402.498 4.249 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c1C#N ZINC000471018938 885521442 /nfs/dbraw/zinc/52/14/42/885521442.db2.gz QFZYUSPXPYDOEM-WAIKUNEKSA-N 1 2 402.498 4.249 20 30 HIEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000471674368 886384847 /nfs/dbraw/zinc/38/48/47/886384847.db2.gz RKJSYMIGVVBWCA-UHFFFAOYSA-N 1 2 424.957 4.237 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471980482 886808993 /nfs/dbraw/zinc/80/89/93/886808993.db2.gz RSBFKZBTKVIVAT-PXNSSMCTSA-N 1 2 402.420 4.241 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471980482 886808994 /nfs/dbraw/zinc/80/89/94/886808994.db2.gz RSBFKZBTKVIVAT-PXNSSMCTSA-N 1 2 402.420 4.241 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000472305328 887130013 /nfs/dbraw/zinc/13/00/13/887130013.db2.gz KBJVHSGDNXBRIZ-HKUYNNGSSA-N 1 2 406.383 4.072 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000472305328 887130020 /nfs/dbraw/zinc/13/00/20/887130020.db2.gz KBJVHSGDNXBRIZ-HKUYNNGSSA-N 1 2 406.383 4.072 20 30 HIEDLO N#Cc1ccc(C2(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4Cl)C3)CC2)cc1 ZINC000473533673 888271964 /nfs/dbraw/zinc/27/19/64/888271964.db2.gz OZMPVBDEHHFSCS-HXUWFJFHSA-N 1 2 411.908 4.163 20 30 HIEDLO N#Cc1ccc(C2(C(=O)N[C@@H]3CCC[N@H+](Cc4ccc(F)cc4Cl)C3)CC2)cc1 ZINC000473533673 888271980 /nfs/dbraw/zinc/27/19/80/888271980.db2.gz OZMPVBDEHHFSCS-HXUWFJFHSA-N 1 2 411.908 4.163 20 30 HIEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000473581729 888323744 /nfs/dbraw/zinc/32/37/44/888323744.db2.gz ISYKWMHQOQFCLS-VWLOTQADSA-N 1 2 403.526 4.443 20 30 HIEDLO C[C@H](NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000504436911 913248322 /nfs/dbraw/zinc/24/83/22/913248322.db2.gz RUHUATIEAIZPEZ-YWZLYKJASA-N 1 2 412.331 4.335 20 30 HIEDLO COc1ccc(OC)c(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C(C)(C)C)c1 ZINC000474163078 889003181 /nfs/dbraw/zinc/00/31/81/889003181.db2.gz CWTIBWAFXNODBP-UHFFFAOYSA-N 1 2 406.486 4.426 20 30 HIEDLO COc1ccc(OC)c(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C(C)(C)C)c1 ZINC000474163078 889003191 /nfs/dbraw/zinc/00/31/91/889003191.db2.gz CWTIBWAFXNODBP-UHFFFAOYSA-N 1 2 406.486 4.426 20 30 HIEDLO CCOCc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)ccc1OC ZINC000475355523 890280532 /nfs/dbraw/zinc/28/05/32/890280532.db2.gz PAJJXBKXRJXNMS-QFIPXVFZSA-N 1 2 413.949 4.268 20 30 HIEDLO N#CC[C@H](CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccccc1 ZINC000475655478 890601038 /nfs/dbraw/zinc/60/10/38/890601038.db2.gz MAJWFWNIHUGWPB-HXUWFJFHSA-N 1 2 412.497 4.349 20 30 HIEDLO N#Cc1ccccc1OCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000504814415 913534369 /nfs/dbraw/zinc/53/43/69/913534369.db2.gz SIDALPAHXIJZOH-UHFFFAOYSA-N 1 2 422.488 4.165 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476656516 891602096 /nfs/dbraw/zinc/60/20/96/891602096.db2.gz HVCFKSVPVNAHDC-CGYQNGNCSA-N 1 2 415.459 4.443 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476656516 891602110 /nfs/dbraw/zinc/60/21/10/891602110.db2.gz HVCFKSVPVNAHDC-CGYQNGNCSA-N 1 2 415.459 4.443 20 30 HIEDLO CC1CC[NH+](Cc2csc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)n2)CC1 ZINC000477719471 892824834 /nfs/dbraw/zinc/82/48/34/892824834.db2.gz LOQHEYJNIXGYQS-UHFFFAOYSA-N 1 2 400.523 4.302 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000478326228 893557624 /nfs/dbraw/zinc/55/76/24/893557624.db2.gz BTUQVIFJJRJMDA-QFIPXVFZSA-N 1 2 410.518 4.155 20 30 HIEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479055813 894313884 /nfs/dbraw/zinc/31/38/84/894313884.db2.gz HDVSURCYQSJIHN-GFCCVEGCSA-N 1 2 415.342 4.056 20 30 HIEDLO N#CCC[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccc1 ZINC000480184833 895579001 /nfs/dbraw/zinc/57/90/01/895579001.db2.gz TVQMCGDPTPQYBR-MSOLQXFVSA-N 1 2 419.344 4.302 20 30 HIEDLO N#Cc1ccc(NCC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000505352077 914017615 /nfs/dbraw/zinc/01/76/15/914017615.db2.gz VTVJOLNGIRQKIH-UHFFFAOYSA-N 1 2 421.504 4.198 20 30 HIEDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(C)n1Cc1ccco1 ZINC000481756962 897146463 /nfs/dbraw/zinc/14/64/63/897146463.db2.gz ONPODJXAWKKRTQ-UHFFFAOYSA-N 1 2 417.509 4.344 20 30 HIEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c1 ZINC000505578419 914285378 /nfs/dbraw/zinc/28/53/78/914285378.db2.gz HITGSIPSGQEJMG-OAQYLSRUSA-N 1 2 418.884 4.186 20 30 HIEDLO N#C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C[C@@]12C(=O)Nc1ccccc12 ZINC000483249632 898891467 /nfs/dbraw/zinc/89/14/67/898891467.db2.gz XJLPDNPXOCTDEA-LFVRLGFBSA-N 1 2 405.404 4.070 20 30 HIEDLO N#C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C[C@@]12C(=O)Nc1ccccc12 ZINC000483249632 898891471 /nfs/dbraw/zinc/89/14/71/898891471.db2.gz XJLPDNPXOCTDEA-LFVRLGFBSA-N 1 2 405.404 4.070 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(Cc1ccco1)c1ccccc1C#N ZINC000483270921 898909096 /nfs/dbraw/zinc/90/90/96/898909096.db2.gz PZCUYVDSRNYUGT-UHFFFAOYSA-N 1 2 406.392 4.321 20 30 HIEDLO C=CC[N@@H+](CCOC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000484568591 900039121 /nfs/dbraw/zinc/03/91/21/900039121.db2.gz AYQCPUQCPDEUOE-IBGZPJMESA-N 1 2 403.866 4.062 20 30 HIEDLO C=CC[N@H+](CCOC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000484568591 900039130 /nfs/dbraw/zinc/03/91/30/900039130.db2.gz AYQCPUQCPDEUOE-IBGZPJMESA-N 1 2 403.866 4.062 20 30 HIEDLO N#Cc1ccc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)s1 ZINC000487260845 902124089 /nfs/dbraw/zinc/12/40/89/902124089.db2.gz IDUXUHCLFAWKAO-UHFFFAOYSA-N 1 2 402.882 4.341 20 30 HIEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1Br ZINC000487876032 902421172 /nfs/dbraw/zinc/42/11/72/902421172.db2.gz HZMSYAIMAKGDHU-UHFFFAOYSA-N 1 2 414.307 4.028 20 30 HIEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490224722 903836397 /nfs/dbraw/zinc/83/63/97/903836397.db2.gz NWOZDJHMONBWRW-RTWAWAEBSA-N 1 2 403.448 4.247 20 30 HIEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490224722 903836401 /nfs/dbraw/zinc/83/64/01/903836401.db2.gz NWOZDJHMONBWRW-RTWAWAEBSA-N 1 2 403.448 4.247 20 30 HIEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490236240 903844859 /nfs/dbraw/zinc/84/48/59/903844859.db2.gz DJMCVQINAFLHHO-FGZHOGPDSA-N 1 2 415.484 4.116 20 30 HIEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490236240 903844864 /nfs/dbraw/zinc/84/48/64/903844864.db2.gz DJMCVQINAFLHHO-FGZHOGPDSA-N 1 2 415.484 4.116 20 30 HIEDLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)Cc1ccc(C#N)cc1 ZINC000506130663 914815892 /nfs/dbraw/zinc/81/58/92/914815892.db2.gz JQEAQIHSRAVPQP-IBGZPJMESA-N 1 2 420.563 4.491 20 30 HIEDLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)Cc1ccc(C#N)cc1 ZINC000506130663 914815894 /nfs/dbraw/zinc/81/58/94/914815894.db2.gz JQEAQIHSRAVPQP-IBGZPJMESA-N 1 2 420.563 4.491 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)C1=O ZINC000500170000 909655659 /nfs/dbraw/zinc/65/56/59/909655659.db2.gz MTCVETXXPPLFNL-QGZVFWFLSA-N 1 2 403.910 4.339 20 30 HIEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000513107573 921554364 /nfs/dbraw/zinc/55/43/64/921554364.db2.gz GXFHQHLXTFKAMY-UHFFFAOYSA-N 1 2 411.377 4.193 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3csc(CNC(=O)c4ccccc4)n3)CC2)cc1 ZINC000502534094 911539718 /nfs/dbraw/zinc/53/97/18/911539718.db2.gz JKAFCUSSMMNDNH-UHFFFAOYSA-N 1 2 414.534 4.234 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3csc(CNC(=O)c4ccccc4)n3)CC2)cc1 ZINC000502534094 911539724 /nfs/dbraw/zinc/53/97/24/911539724.db2.gz JKAFCUSSMMNDNH-UHFFFAOYSA-N 1 2 414.534 4.234 20 30 HIEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000506300171 914894060 /nfs/dbraw/zinc/89/40/60/914894060.db2.gz IZFIGDZOHNLORV-HSZRJFAPSA-N 1 2 411.461 4.114 20 30 HIEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000506300171 914894066 /nfs/dbraw/zinc/89/40/66/914894066.db2.gz IZFIGDZOHNLORV-HSZRJFAPSA-N 1 2 411.461 4.114 20 30 HIEDLO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnc2ccc(C#N)cn12 ZINC000506806910 915554686 /nfs/dbraw/zinc/55/46/86/915554686.db2.gz SFVHPMUHGBEFBB-UHFFFAOYSA-N 1 2 415.419 4.074 20 30 HIEDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnc2ccc(C#N)cn12 ZINC000506806910 915554705 /nfs/dbraw/zinc/55/47/05/915554705.db2.gz SFVHPMUHGBEFBB-UHFFFAOYSA-N 1 2 415.419 4.074 20 30 HIEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000506929467 915730176 /nfs/dbraw/zinc/73/01/76/915730176.db2.gz QTSPOPZJJDDARO-UHFFFAOYSA-N 1 2 407.905 4.188 20 30 HIEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000506929467 915730197 /nfs/dbraw/zinc/73/01/97/915730197.db2.gz QTSPOPZJJDDARO-UHFFFAOYSA-N 1 2 407.905 4.188 20 30 HIEDLO C=CC[N@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1cc(Br)ccc1F ZINC000507964877 916818340 /nfs/dbraw/zinc/81/83/40/916818340.db2.gz ISQUNBLIMSPBIB-UHFFFAOYSA-N 1 2 405.267 4.107 20 30 HIEDLO C=CC[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1cc(Br)ccc1F ZINC000507964877 916818345 /nfs/dbraw/zinc/81/83/45/916818345.db2.gz ISQUNBLIMSPBIB-UHFFFAOYSA-N 1 2 405.267 4.107 20 30 HIEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000508650467 917416184 /nfs/dbraw/zinc/41/61/84/917416184.db2.gz JTGUJTLLMMIODG-UHFFFAOYSA-N 1 2 417.494 4.252 20 30 HIEDLO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508996512 917750292 /nfs/dbraw/zinc/75/02/92/917750292.db2.gz NZCNJEQNKBQNII-UHFFFAOYSA-N 1 2 413.525 4.123 20 30 HIEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(=O)Nc2ccccc2)cc1OC ZINC000509517822 918166779 /nfs/dbraw/zinc/16/67/79/918166779.db2.gz COLJBJFXPMROLW-UHFFFAOYSA-N 1 2 419.319 4.093 20 30 HIEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc1OC ZINC000509517822 918166790 /nfs/dbraw/zinc/16/67/90/918166790.db2.gz COLJBJFXPMROLW-UHFFFAOYSA-N 1 2 419.319 4.093 20 30 HIEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511128897 919744450 /nfs/dbraw/zinc/74/44/50/919744450.db2.gz YRNKQEOTDHSOGM-UHFFFAOYSA-N 1 2 402.376 4.181 20 30 HIEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511128897 919744464 /nfs/dbraw/zinc/74/44/64/919744464.db2.gz YRNKQEOTDHSOGM-UHFFFAOYSA-N 1 2 402.376 4.181 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000512210523 920957410 /nfs/dbraw/zinc/95/74/10/920957410.db2.gz DUUFFKYOUGHFKM-LJQANCHMSA-N 1 2 409.313 4.262 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000512210523 920957420 /nfs/dbraw/zinc/95/74/20/920957420.db2.gz DUUFFKYOUGHFKM-LJQANCHMSA-N 1 2 409.313 4.262 20 30 HIEDLO N#C[C@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513980652 922301944 /nfs/dbraw/zinc/30/19/44/922301944.db2.gz XPXHQMMCHXXPEA-WXVAWEFUSA-N 1 2 423.516 4.138 20 30 HIEDLO N#C[C@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513980652 922301957 /nfs/dbraw/zinc/30/19/57/922301957.db2.gz XPXHQMMCHXXPEA-WXVAWEFUSA-N 1 2 423.516 4.138 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1C#N ZINC000515437617 923099515 /nfs/dbraw/zinc/09/95/15/923099515.db2.gz JTKGWDXRAHRWGB-GOSISDBHSA-N 1 2 420.488 4.185 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1C#N ZINC000515437617 923099528 /nfs/dbraw/zinc/09/95/28/923099528.db2.gz JTKGWDXRAHRWGB-GOSISDBHSA-N 1 2 420.488 4.185 20 30 HIEDLO C[C@@H](c1cccc(NC(=O)NCCSCc2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC000519200466 927824223 /nfs/dbraw/zinc/82/42/23/927824223.db2.gz LVRWXEPCDFCWIG-SFHVURJKSA-N 1 2 424.570 4.006 20 30 HIEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000519451222 927959602 /nfs/dbraw/zinc/95/96/02/927959602.db2.gz UHOSHNPPYMTGMJ-SFHVURJKSA-N 1 2 424.570 4.297 20 30 HIEDLO N#Cc1cccc(OCc2cccc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)c2)c1 ZINC000524542510 929673345 /nfs/dbraw/zinc/67/33/45/929673345.db2.gz UVMWMEJFHDHBHR-UHFFFAOYSA-N 1 2 408.461 4.253 20 30 HIEDLO Cc1ccc(C(=O)C2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)c(C)c1 ZINC000525269941 930120971 /nfs/dbraw/zinc/12/09/71/930120971.db2.gz HSJSTMANRAPONR-UHFFFAOYSA-N 1 2 400.482 4.320 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)Cc1cccs1 ZINC000525782713 930442579 /nfs/dbraw/zinc/44/25/79/930442579.db2.gz AHYPKLNJZOQWHA-FQEVSTJZSA-N 1 2 400.544 4.117 20 30 HIEDLO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)Cc1cccs1 ZINC000525782713 930442582 /nfs/dbraw/zinc/44/25/82/930442582.db2.gz AHYPKLNJZOQWHA-FQEVSTJZSA-N 1 2 400.544 4.117 20 30 HIEDLO C[C@@H]1CN(c2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)c[nH+]2)C[C@H](C)O1 ZINC000525998771 930504613 /nfs/dbraw/zinc/50/46/13/930504613.db2.gz JZWSZAFSTCVIIQ-KDURUIRLSA-N 1 2 416.529 4.084 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000530966062 930870314 /nfs/dbraw/zinc/87/03/14/930870314.db2.gz DNAWORXKQLQOHM-LSDHHAIUSA-N 1 2 403.885 4.474 20 30 HIEDLO N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c2)cc1 ZINC000531495791 931078387 /nfs/dbraw/zinc/07/83/87/931078387.db2.gz GKIVPNLFLXZQPC-UHFFFAOYSA-N 1 2 412.493 4.386 20 30 HIEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532557825 931522321 /nfs/dbraw/zinc/52/23/21/931522321.db2.gz BQPMMACCUXGOQI-OAHLLOKOSA-N 1 2 417.340 4.404 20 30 HIEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532557825 931522324 /nfs/dbraw/zinc/52/23/24/931522324.db2.gz BQPMMACCUXGOQI-OAHLLOKOSA-N 1 2 417.340 4.404 20 30 HIEDLO N#CCCN(C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1)c1cccc(Cl)c1 ZINC000532625574 931559232 /nfs/dbraw/zinc/55/92/32/931559232.db2.gz ICMZVTSZJQMCPM-HSZRJFAPSA-N 1 2 404.901 4.361 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000532944178 931705768 /nfs/dbraw/zinc/70/57/68/931705768.db2.gz FVMBDNCLIFPTHO-KRWDZBQOSA-N 1 2 401.576 4.443 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1C#N ZINC000533031674 931747008 /nfs/dbraw/zinc/74/70/08/931747008.db2.gz MBIPJVMRSIADTI-QFIPXVFZSA-N 1 2 401.514 4.129 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1C#N ZINC000533031674 931747015 /nfs/dbraw/zinc/74/70/15/931747015.db2.gz MBIPJVMRSIADTI-QFIPXVFZSA-N 1 2 401.514 4.129 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+]C(C)(C)c2nccs2)c1C#N ZINC000533061273 931758969 /nfs/dbraw/zinc/75/89/69/931758969.db2.gz RNMZZQIHUPFZJL-UHFFFAOYSA-N 1 2 411.506 4.025 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(Br)s1 ZINC000533230904 931814977 /nfs/dbraw/zinc/81/49/77/931814977.db2.gz QEKZVQFYALYFLB-ZDUSSCGKSA-N 1 2 424.339 4.417 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000533230904 931814978 /nfs/dbraw/zinc/81/49/78/931814978.db2.gz QEKZVQFYALYFLB-ZDUSSCGKSA-N 1 2 424.339 4.417 20 30 HIEDLO COc1ccc(CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cc1C#N ZINC000533331463 931840471 /nfs/dbraw/zinc/84/04/71/931840471.db2.gz DXGKTMPPRFLYMU-AWEZNQCLSA-N 1 2 411.506 4.202 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884046 933464946 /nfs/dbraw/zinc/46/49/46/933464946.db2.gz AQCRLYGGONOFSS-PZJWPPBQSA-N 1 2 417.937 4.146 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535884046 933464948 /nfs/dbraw/zinc/46/49/48/933464948.db2.gz AQCRLYGGONOFSS-PZJWPPBQSA-N 1 2 417.937 4.146 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000535958839 933523522 /nfs/dbraw/zinc/52/35/22/933523522.db2.gz NCCBLHIZOLTQDG-IBGZPJMESA-N 1 2 402.523 4.214 20 30 HIEDLO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000537854151 938391125 /nfs/dbraw/zinc/39/11/25/938391125.db2.gz QPPFHGTXBWRILW-INIZCTEOSA-N 1 2 419.529 4.344 20 30 HIEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OCc2cccnc2)cc1 ZINC000539227509 938822191 /nfs/dbraw/zinc/82/21/91/938822191.db2.gz QAJXSCPWXONYCE-QGZVFWFLSA-N 1 2 411.465 4.433 20 30 HIEDLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1Br ZINC000539271349 938830988 /nfs/dbraw/zinc/83/09/88/938830988.db2.gz YKDIBVAUSPHCSE-LBPRGKRZSA-N 1 2 413.275 4.230 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@@H]2CCN(c4ccc(C#N)cc4)C2=O)C3)cs1 ZINC000540100263 939071447 /nfs/dbraw/zinc/07/14/47/939071447.db2.gz JJUZWJFYPJBSFC-LJQANCHMSA-N 1 2 420.563 4.215 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@@H]2CCN(c4ccc(C#N)cc4)C2=O)C3)cs1 ZINC000540100263 939071453 /nfs/dbraw/zinc/07/14/53/939071453.db2.gz JJUZWJFYPJBSFC-LJQANCHMSA-N 1 2 420.563 4.215 20 30 HIEDLO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000542613843 939848550 /nfs/dbraw/zinc/84/85/50/939848550.db2.gz AODZYYRSERBJSY-LLVKDONJSA-N 1 2 401.239 4.361 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@H](C)c2nc(C)cs2)cc1 ZINC000543510985 940090203 /nfs/dbraw/zinc/09/02/03/940090203.db2.gz ZOASMWMWIYTQLZ-OAHLLOKOSA-N 1 2 423.542 4.029 20 30 HIEDLO N#Cc1ccc(OC[C@H](O)C[NH2+]C2(c3noc(C4CCCC4)n3)CCCCCC2)cc1 ZINC000543553909 940107179 /nfs/dbraw/zinc/10/71/79/940107179.db2.gz YDAGPBXGNLGLTA-HXUWFJFHSA-N 1 2 424.545 4.178 20 30 HIEDLO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543943043 940257797 /nfs/dbraw/zinc/25/77/97/940257797.db2.gz ANZXWEMLEFLFCP-LJQANCHMSA-N 1 2 411.509 4.213 20 30 HIEDLO N#Cc1c(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)sc2c1CCCCC2 ZINC000544192578 940348943 /nfs/dbraw/zinc/34/89/43/940348943.db2.gz SVDMRYZLZHIIAE-UHFFFAOYSA-N 1 2 404.539 4.363 20 30 HIEDLO N#Cc1c(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)sc2c1CCCCC2 ZINC000544192578 940348947 /nfs/dbraw/zinc/34/89/47/940348947.db2.gz SVDMRYZLZHIIAE-UHFFFAOYSA-N 1 2 404.539 4.363 20 30 HIEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)s1 ZINC000544520332 940470409 /nfs/dbraw/zinc/47/04/09/940470409.db2.gz VAPMMQTXBMAQPL-INIZCTEOSA-N 1 2 407.543 4.079 20 30 HIEDLO C=CCc1cc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cc(OC)c1O ZINC000545547743 940574303 /nfs/dbraw/zinc/57/43/03/940574303.db2.gz GGAQJMXUKSPKKJ-UHFFFAOYSA-N 1 2 403.526 4.127 20 30 HIEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000549273486 941176010 /nfs/dbraw/zinc/17/60/10/941176010.db2.gz ZAWQPYUAXKUSNP-MRXNPFEDSA-N 1 2 412.488 4.011 20 30 HIEDLO N#CCCCn1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c2ccccc21 ZINC000552035203 941571527 /nfs/dbraw/zinc/57/15/27/941571527.db2.gz NOVBYMLSGXKACE-WGSAOQKQSA-N 1 2 401.514 4.493 20 30 HIEDLO C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000555249147 942445947 /nfs/dbraw/zinc/44/59/47/942445947.db2.gz GASGGCKBLQOPRA-UHFFFAOYSA-N 1 2 409.582 4.060 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555482221 942585838 /nfs/dbraw/zinc/58/58/38/942585838.db2.gz VXKSGTCVPNDKFA-VQTJNVASSA-N 1 2 412.896 4.084 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555482221 942585843 /nfs/dbraw/zinc/58/58/43/942585843.db2.gz VXKSGTCVPNDKFA-VQTJNVASSA-N 1 2 412.896 4.084 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1ccc(OC)cc1 ZINC000555877802 942763535 /nfs/dbraw/zinc/76/35/35/942763535.db2.gz ZXDRHOYZMQWFCN-UHFFFAOYSA-N 1 2 403.320 4.393 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1ccc(OC)cc1 ZINC000555877802 942763545 /nfs/dbraw/zinc/76/35/45/942763545.db2.gz ZXDRHOYZMQWFCN-UHFFFAOYSA-N 1 2 403.320 4.393 20 30 HIEDLO Cc1noc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000556883785 942950339 /nfs/dbraw/zinc/95/03/39/942950339.db2.gz FSWNGCGBUZSBRW-KRWDZBQOSA-N 1 2 413.547 4.136 20 30 HIEDLO Cc1noc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000556883785 942950343 /nfs/dbraw/zinc/95/03/43/942950343.db2.gz FSWNGCGBUZSBRW-KRWDZBQOSA-N 1 2 413.547 4.136 20 30 HIEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000558477985 943569783 /nfs/dbraw/zinc/56/97/83/943569783.db2.gz SVTFXUGDGFDKGY-KRWDZBQOSA-N 1 2 407.489 4.017 20 30 HIEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000558477985 943569789 /nfs/dbraw/zinc/56/97/89/943569789.db2.gz SVTFXUGDGFDKGY-KRWDZBQOSA-N 1 2 407.489 4.017 20 30 HIEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1cccc2ccccc21 ZINC000558628930 943621238 /nfs/dbraw/zinc/62/12/38/943621238.db2.gz IMQHRAYZUNZPQN-PMACEKPBSA-N 1 2 412.537 4.358 20 30 HIEDLO C=CCn1c(-c2cccc3ccccc32)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000558674980 943626661 /nfs/dbraw/zinc/62/66/61/943626661.db2.gz VTNMPNOSFZBFLU-UHFFFAOYSA-N 1 2 410.525 4.002 20 30 HIEDLO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000558999094 943796664 /nfs/dbraw/zinc/79/66/64/943796664.db2.gz MKJMZSYFFHZKDG-INIZCTEOSA-N 1 2 413.472 4.276 20 30 HIEDLO Cc1nc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1-c1ccccc1 ZINC000562096153 944936161 /nfs/dbraw/zinc/93/61/61/944936161.db2.gz DBSXLHKWLFOYRA-UHFFFAOYSA-N 1 2 411.509 4.278 20 30 HIEDLO N#Cc1cc(Oc2ccc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2)ccn1 ZINC000571334131 947601051 /nfs/dbraw/zinc/60/10/51/947601051.db2.gz OLYADTQIRGORTA-UHFFFAOYSA-N 1 2 414.469 4.062 20 30 HIEDLO COc1cc(OC)c2ncc(C#N)c(N3CCC(CCCn4cc[nH+]c4)CC3)c2c1 ZINC000571428056 947644110 /nfs/dbraw/zinc/64/41/10/947644110.db2.gz NRLWCUSUQGVHPO-UHFFFAOYSA-N 1 2 405.502 4.017 20 30 HIEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)s1 ZINC000571457329 947657193 /nfs/dbraw/zinc/65/71/93/947657193.db2.gz NOJQRXYFUNTMLT-UHFFFAOYSA-N 1 2 417.460 4.212 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000572519216 947924347 /nfs/dbraw/zinc/92/43/47/947924347.db2.gz AIFMPPLKPPKDHH-GOSISDBHSA-N 1 2 407.514 4.004 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000572519216 947924370 /nfs/dbraw/zinc/92/43/70/947924370.db2.gz AIFMPPLKPPKDHH-GOSISDBHSA-N 1 2 407.514 4.004 20 30 HIEDLO COCCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)cn1 ZINC000328604414 569417379 /nfs/dbraw/zinc/41/73/79/569417379.db2.gz JPTWXPKTOCEVGD-QFBILLFUSA-N 1 2 411.506 4.069 20 30 HIEDLO N#Cc1ccc2ccnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164672189 719504140 /nfs/dbraw/zinc/50/41/40/719504140.db2.gz GMCFRJAIHYJDBT-UHFFFAOYSA-N 1 2 416.500 4.117 20 30 HIEDLO N#Cc1ccc2ccnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164672189 719504144 /nfs/dbraw/zinc/50/41/44/719504144.db2.gz GMCFRJAIHYJDBT-UHFFFAOYSA-N 1 2 416.500 4.117 20 30 HIEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc(-c3ccc(Cl)nc3C(=O)OC)cc2)CC1 ZINC001165031837 721869610 /nfs/dbraw/zinc/86/96/10/721869610.db2.gz BFDALZCSZVFHIQ-UHFFFAOYSA-N 1 2 421.875 4.042 20 30 HIEDLO CCCCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nnc1[C@@H](CC)[NH+](C)C ZINC000004494695 845059857 /nfs/dbraw/zinc/05/98/57/845059857.db2.gz PRWGIACALJUTQZ-CRAIPNDOSA-N 1 2 414.579 4.082 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCSc3ccc(Cl)cc3)CC2)cc1 ZINC000017843261 846273747 /nfs/dbraw/zinc/27/37/47/846273747.db2.gz MPLAVYLJIWIQDV-UHFFFAOYSA-N 1 2 413.974 4.428 20 30 HIEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781863 846620919 /nfs/dbraw/zinc/62/09/19/846620919.db2.gz GUCIRHWWVNYDQV-HNNXBMFYSA-N 1 2 417.340 4.010 20 30 HIEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)ccc1Cl ZINC000025056314 846914101 /nfs/dbraw/zinc/91/41/01/846914101.db2.gz LUZVNKAIQOCHOQ-UHFFFAOYSA-N 1 2 423.944 4.490 20 30 HIEDLO COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026329224 847126181 /nfs/dbraw/zinc/12/61/81/847126181.db2.gz IHJSNRVQRGEAMZ-OAHLLOKOSA-N 1 2 406.511 4.149 20 30 HIEDLO COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026329224 847126187 /nfs/dbraw/zinc/12/61/87/847126187.db2.gz IHJSNRVQRGEAMZ-OAHLLOKOSA-N 1 2 406.511 4.149 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000028956632 847483449 /nfs/dbraw/zinc/48/34/49/847483449.db2.gz JPYQDDZTNKPTBI-VWLOTQADSA-N 1 2 414.509 4.106 20 30 HIEDLO N#Cc1ccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c(F)c1 ZINC000029120120 847510543 /nfs/dbraw/zinc/51/05/43/847510543.db2.gz RBLZOCYMZMMFDP-UHFFFAOYSA-N 1 2 407.518 4.225 20 30 HIEDLO O=C(Nc1cccc(C#Cc2cccs2)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045988239 848766809 /nfs/dbraw/zinc/76/68/09/848766809.db2.gz OTRCSIPTLIELIH-UHFFFAOYSA-N 1 2 402.523 4.333 20 30 HIEDLO N#CCc1ccc(OCc2ccccc2NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000056638989 850427108 /nfs/dbraw/zinc/42/71/08/850427108.db2.gz GVQIWABSNCGJKC-UHFFFAOYSA-N 1 2 403.486 4.130 20 30 HIEDLO COCC[N@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063753989 851756396 /nfs/dbraw/zinc/75/63/96/851756396.db2.gz CUTTZAIRTKYWOS-UHFFFAOYSA-N 1 2 413.521 4.240 20 30 HIEDLO COCC[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063753989 851756400 /nfs/dbraw/zinc/75/64/00/851756400.db2.gz CUTTZAIRTKYWOS-UHFFFAOYSA-N 1 2 413.521 4.240 20 30 HIEDLO CC(C)CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000064547089 851926201 /nfs/dbraw/zinc/92/62/01/851926201.db2.gz GFMQAUMKXMZFFX-UHFFFAOYSA-N 1 2 406.530 4.333 20 30 HIEDLO CSc1ccc(Cl)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000064562712 851930602 /nfs/dbraw/zinc/93/06/02/851930602.db2.gz XNQVQNBHPAWLHU-UHFFFAOYSA-N 1 2 400.935 4.283 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000064807061 851988607 /nfs/dbraw/zinc/98/86/07/851988607.db2.gz LNZUTIJYSMONQT-XMMPIXPASA-N 1 2 423.532 4.370 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000064807061 851988610 /nfs/dbraw/zinc/98/86/10/851988610.db2.gz LNZUTIJYSMONQT-XMMPIXPASA-N 1 2 423.532 4.370 20 30 HIEDLO NC(=[NH+]OCc1coc(-c2cccs2)n1)c1ccc(OCc2cccnc2)cc1 ZINC000110269196 853081623 /nfs/dbraw/zinc/08/16/23/853081623.db2.gz KRZWGVSLLMVPJP-UHFFFAOYSA-N 1 2 406.467 4.214 20 30 HIEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000113177038 853240625 /nfs/dbraw/zinc/24/06/25/853240625.db2.gz QAKPMYGSNZLZGF-HNNXBMFYSA-N 1 2 417.340 4.404 20 30 HIEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000113177038 853240629 /nfs/dbraw/zinc/24/06/29/853240629.db2.gz QAKPMYGSNZLZGF-HNNXBMFYSA-N 1 2 417.340 4.404 20 30 HIEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255957563 854230879 /nfs/dbraw/zinc/23/08/79/854230879.db2.gz WIXKUJGSEHXICY-MJGOQNOKSA-N 1 2 424.715 4.047 20 30 HIEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255957563 854230886 /nfs/dbraw/zinc/23/08/86/854230886.db2.gz WIXKUJGSEHXICY-MJGOQNOKSA-N 1 2 424.715 4.047 20 30 HIEDLO CSc1ccc([C@H](CNc2nccnc2C#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000301186956 854323103 /nfs/dbraw/zinc/32/31/03/854323103.db2.gz PTQZERZOZHDTQJ-IBGZPJMESA-N 1 2 407.568 4.343 20 30 HIEDLO CSc1ccc([C@H](CNc2nccnc2C#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000301186956 854323111 /nfs/dbraw/zinc/32/31/11/854323111.db2.gz PTQZERZOZHDTQJ-IBGZPJMESA-N 1 2 407.568 4.343 20 30 HIEDLO C=CCOc1ccccc1CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426364324 856260076 /nfs/dbraw/zinc/26/00/76/856260076.db2.gz YWLOTQWRISREQI-FYYLOGMGSA-N 1 2 402.498 4.176 20 30 HIEDLO C=CCOc1ccccc1CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426364327 856260341 /nfs/dbraw/zinc/26/03/41/856260341.db2.gz YWLOTQWRISREQI-JTHBVZDNSA-N 1 2 402.498 4.176 20 30 HIEDLO CCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)Nc1ccccc1OC ZINC000426394707 856273394 /nfs/dbraw/zinc/27/33/94/856273394.db2.gz KNOLNCWOACBMSG-UHFFFAOYSA-N 1 2 404.432 4.416 20 30 HIEDLO CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)Nc1ccccc1OC ZINC000426394707 856273398 /nfs/dbraw/zinc/27/33/98/856273398.db2.gz KNOLNCWOACBMSG-UHFFFAOYSA-N 1 2 404.432 4.416 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2Cl)c1 ZINC000429436593 857667266 /nfs/dbraw/zinc/66/72/66/857667266.db2.gz XNJKSTBWLYAUON-GOSISDBHSA-N 1 2 421.888 4.124 20 30 HIEDLO C=CCN(C)C(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000429942863 857961653 /nfs/dbraw/zinc/96/16/53/857961653.db2.gz MLZVAZGKABONEF-LJQANCHMSA-N 1 2 401.601 4.397 20 30 HIEDLO C=CCN(C)C(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000429942863 857961670 /nfs/dbraw/zinc/96/16/70/857961670.db2.gz MLZVAZGKABONEF-LJQANCHMSA-N 1 2 401.601 4.397 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000430493577 858197529 /nfs/dbraw/zinc/19/75/29/858197529.db2.gz PQEODYDDUZPEJC-UHFFFAOYSA-N 1 2 416.525 4.449 20 30 HIEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(Nc3cc(OC)cc(OC)c3)CC2)c1C ZINC000430993902 858396297 /nfs/dbraw/zinc/39/62/97/858396297.db2.gz QGBGQGLBRBGKGU-UHFFFAOYSA-N 1 2 411.546 4.067 20 30 HIEDLO C=CCC[C@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000434288008 860254299 /nfs/dbraw/zinc/25/42/99/860254299.db2.gz PMTVGSFDNPHRFL-LPHOPBHVSA-N 1 2 413.484 4.075 20 30 HIEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434664193 860451399 /nfs/dbraw/zinc/45/13/99/860451399.db2.gz JCPWEZCNPDVLEJ-CQSZACIVSA-N 1 2 413.880 4.273 20 30 HIEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000434720877 860469804 /nfs/dbraw/zinc/46/98/04/860469804.db2.gz YSOWFAVMCUSZEF-HSZRJFAPSA-N 1 2 403.482 4.142 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000434902471 860546814 /nfs/dbraw/zinc/54/68/14/860546814.db2.gz DHPBFRGKCUCEIL-HNNXBMFYSA-N 1 2 401.576 4.107 20 30 HIEDLO C=CCNC(=O)c1cccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000438246014 863709357 /nfs/dbraw/zinc/70/93/57/863709357.db2.gz YCTABCKLOBIXTO-FQEVSTJZSA-N 1 2 406.461 4.129 20 30 HIEDLO C=CCNC(=O)c1cccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000438246014 863709381 /nfs/dbraw/zinc/70/93/81/863709381.db2.gz YCTABCKLOBIXTO-FQEVSTJZSA-N 1 2 406.461 4.129 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1F ZINC000438652703 864094263 /nfs/dbraw/zinc/09/42/63/864094263.db2.gz VVJXIFBYZWLCIB-UHFFFAOYSA-N 1 2 419.460 4.387 20 30 HIEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000439779140 865102994 /nfs/dbraw/zinc/10/29/94/865102994.db2.gz CAWGHBXCIDQETR-JPYJTQIMSA-N 1 2 422.598 4.378 20 30 HIEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000439779140 865102998 /nfs/dbraw/zinc/10/29/98/865102998.db2.gz CAWGHBXCIDQETR-JPYJTQIMSA-N 1 2 422.598 4.378 20 30 HIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000441180447 866257560 /nfs/dbraw/zinc/25/75/60/866257560.db2.gz QZXQGMPUAUSMKL-MRXNPFEDSA-N 1 2 407.905 4.140 20 30 HIEDLO N#Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccc1OC(F)(F)F ZINC000442221092 867248812 /nfs/dbraw/zinc/24/88/12/867248812.db2.gz WPJJTRGECTWIRL-UHFFFAOYSA-N 1 2 419.407 4.164 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000444664116 868941832 /nfs/dbraw/zinc/94/18/32/868941832.db2.gz PYUWIFYKKBRCKJ-FQEVSTJZSA-N 1 2 400.482 4.298 20 30 HIEDLO Cc1sc(NC(=O)C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)c(C#N)c1C ZINC000444677427 868954892 /nfs/dbraw/zinc/95/48/92/868954892.db2.gz PRGJATZZAXODMQ-LLVKDONJSA-N 1 2 403.458 4.271 20 30 HIEDLO CC(=O)c1ccc(C#N)c(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000444871451 869067498 /nfs/dbraw/zinc/06/74/98/869067498.db2.gz KRIKSHPEVDOOGI-UHFFFAOYSA-N 1 2 400.482 4.492 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000444900366 869088229 /nfs/dbraw/zinc/08/82/29/869088229.db2.gz RUGRALVQOSRBPS-GOSISDBHSA-N 1 2 401.470 4.496 20 30 HIEDLO N#Cc1ccccc1COc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000445823093 869845433 /nfs/dbraw/zinc/84/54/33/869845433.db2.gz AGZWRWCEGQMFMB-RBBKRZOGSA-N 1 2 416.481 4.113 20 30 HIEDLO N#Cc1ccccc1COc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000445823093 869845436 /nfs/dbraw/zinc/84/54/36/869845436.db2.gz AGZWRWCEGQMFMB-RBBKRZOGSA-N 1 2 416.481 4.113 20 30 HIEDLO Cc1cc(-c2ncccc2NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000446434661 870353781 /nfs/dbraw/zinc/35/37/81/870353781.db2.gz MVDFURUMVYQXQV-UHFFFAOYSA-N 1 2 417.538 4.340 20 30 HIEDLO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c2)cc1 ZINC000446695303 870612454 /nfs/dbraw/zinc/61/24/54/870612454.db2.gz DQJGNZQRCSMSNQ-UHFFFAOYSA-N 1 2 423.432 4.113 20 30 HIEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000447344527 871246368 /nfs/dbraw/zinc/24/63/68/871246368.db2.gz ZWRKWVJOGDLYIR-QMHKHESXSA-N 1 2 413.949 4.344 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3OC(F)F)CC2)cc1 ZINC000460261608 872850416 /nfs/dbraw/zinc/85/04/16/872850416.db2.gz RMUPEGZEPYGANV-UHFFFAOYSA-N 1 2 420.847 4.163 20 30 HIEDLO COc1ccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc2Cl)c(C)c1 ZINC000462172124 875267642 /nfs/dbraw/zinc/26/76/42/875267642.db2.gz SRGJSEKXALOXGN-XZOQPEGZSA-N 1 2 411.933 4.145 20 30 HIEDLO CSc1cccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2cc(F)ccc2F)c1 ZINC000462176912 875276695 /nfs/dbraw/zinc/27/66/95/875276695.db2.gz NAUZUJVWXMUULE-FGZHOGPDSA-N 1 2 417.525 4.420 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000464561811 877779399 /nfs/dbraw/zinc/77/93/99/877779399.db2.gz XKZCOWTVOOHFBX-HXUWFJFHSA-N 1 2 416.525 4.376 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000464846930 878120145 /nfs/dbraw/zinc/12/01/45/878120145.db2.gz BNEXJALDIANAMF-JXFKEZNVSA-N 1 2 412.534 4.018 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000464846930 878120158 /nfs/dbraw/zinc/12/01/58/878120158.db2.gz BNEXJALDIANAMF-JXFKEZNVSA-N 1 2 412.534 4.018 20 30 HIEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000465572406 879046909 /nfs/dbraw/zinc/04/69/09/879046909.db2.gz XYTZPZPBDOVTQG-FGZHOGPDSA-N 1 2 403.530 4.053 20 30 HIEDLO C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469383645 883522652 /nfs/dbraw/zinc/52/26/52/883522652.db2.gz KVAKZVBPXJQOFA-FDDCHVKYSA-N 1 2 400.482 4.465 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000469391901 883545931 /nfs/dbraw/zinc/54/59/31/883545931.db2.gz WUYDWNHGWFXYAB-GCJKJVERSA-N 1 2 400.482 4.057 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000469391903 883546165 /nfs/dbraw/zinc/54/61/65/883546165.db2.gz WUYDWNHGWFXYAB-XMSQKQJNSA-N 1 2 400.482 4.057 20 30 HIEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)c1 ZINC000469690737 883873086 /nfs/dbraw/zinc/87/30/86/883873086.db2.gz NLUUXKAGFUHWRE-QFIPXVFZSA-N 1 2 400.438 4.431 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000469956568 884159609 /nfs/dbraw/zinc/15/96/09/884159609.db2.gz OOLFBUITSADPMU-UHFFFAOYSA-N 1 2 416.525 4.449 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCC[C@H]2c2cccn2C)c1C#N ZINC000472331935 887164912 /nfs/dbraw/zinc/16/49/12/887164912.db2.gz YWOGEYQWHCHCAN-QFIPXVFZSA-N 1 2 419.529 4.122 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCC[C@H]2c2cccn2C)c1C#N ZINC000472331935 887164922 /nfs/dbraw/zinc/16/49/22/887164922.db2.gz YWOGEYQWHCHCAN-QFIPXVFZSA-N 1 2 419.529 4.122 20 30 HIEDLO Cc1noc(C)c1C[NH+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000472573296 887458448 /nfs/dbraw/zinc/45/84/48/887458448.db2.gz FVWPLJCWYRBIRC-UHFFFAOYSA-N 1 2 414.553 4.309 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473156856 887936074 /nfs/dbraw/zinc/93/60/74/887936074.db2.gz AIOMULXXLDHHTH-SBUREZEXSA-N 1 2 407.539 4.008 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473156856 887936088 /nfs/dbraw/zinc/93/60/88/887936088.db2.gz AIOMULXXLDHHTH-SBUREZEXSA-N 1 2 407.539 4.008 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473160370 887940386 /nfs/dbraw/zinc/94/03/86/887940386.db2.gz GCVOOVNGOGXQTM-UZUQRXQVSA-N 1 2 407.539 4.151 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473160370 887940387 /nfs/dbraw/zinc/94/03/87/887940387.db2.gz GCVOOVNGOGXQTM-UZUQRXQVSA-N 1 2 407.539 4.151 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473173387 887950628 /nfs/dbraw/zinc/95/06/28/887950628.db2.gz WEDBQOQVYPOMEK-VOIUYBSRSA-N 1 2 421.566 4.347 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473173387 887950629 /nfs/dbraw/zinc/95/06/29/887950629.db2.gz WEDBQOQVYPOMEK-VOIUYBSRSA-N 1 2 421.566 4.347 20 30 HIEDLO COc1ccc(OC)c(C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C(C)(C)C)c1 ZINC000474156713 888990196 /nfs/dbraw/zinc/99/01/96/888990196.db2.gz IGVRDPWSCGWHGK-UHFFFAOYSA-N 1 2 415.559 4.493 20 30 HIEDLO COc1ccc(OC)c(C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C(C)(C)C)c1 ZINC000474156713 888990210 /nfs/dbraw/zinc/99/02/10/888990210.db2.gz IGVRDPWSCGWHGK-UHFFFAOYSA-N 1 2 415.559 4.493 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c(C(F)(F)F)c1 ZINC000475399633 890327678 /nfs/dbraw/zinc/32/76/78/890327678.db2.gz JGXMAKDUMNGVEI-UHFFFAOYSA-N 1 2 417.412 4.368 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000475802045 890737442 /nfs/dbraw/zinc/73/74/42/890737442.db2.gz VMFCIYYAYDTMLR-OAHLLOKOSA-N 1 2 409.223 4.311 20 30 HIEDLO COc1cccc(C2=CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)c1 ZINC000476270578 891192195 /nfs/dbraw/zinc/19/21/95/891192195.db2.gz XMDLEWIMPSNSEU-UHFFFAOYSA-N 1 2 409.917 4.385 20 30 HIEDLO COc1cccc(C2=CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)c1 ZINC000476270578 891192205 /nfs/dbraw/zinc/19/22/05/891192205.db2.gz XMDLEWIMPSNSEU-UHFFFAOYSA-N 1 2 409.917 4.385 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476655552 891599680 /nfs/dbraw/zinc/59/96/80/891599680.db2.gz HCLOXQJDPIXAPT-FPOVZHCZSA-N 1 2 415.459 4.470 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476655552 891599703 /nfs/dbraw/zinc/59/97/03/891599703.db2.gz HCLOXQJDPIXAPT-FPOVZHCZSA-N 1 2 415.459 4.470 20 30 HIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)n2)C1 ZINC000477686972 892810542 /nfs/dbraw/zinc/81/05/42/892810542.db2.gz QVVFOYROFDSZJN-CQSZACIVSA-N 1 2 400.523 4.302 20 30 HIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)n2)C1 ZINC000477686972 892810544 /nfs/dbraw/zinc/81/05/44/892810544.db2.gz QVVFOYROFDSZJN-CQSZACIVSA-N 1 2 400.523 4.302 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000478326227 893557128 /nfs/dbraw/zinc/55/71/28/893557128.db2.gz BTUQVIFJJRJMDA-JOCHJYFZSA-N 1 2 410.518 4.155 20 30 HIEDLO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479391832 894695534 /nfs/dbraw/zinc/69/55/34/894695534.db2.gz NGIOFRUWUAFSDD-SJCJKPOMSA-N 1 2 412.342 4.336 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481663120 897047189 /nfs/dbraw/zinc/04/71/89/897047189.db2.gz VSJQCQJXIQBIKT-UHFFFAOYSA-N 1 2 421.476 4.417 20 30 HIEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 ZINC000481711485 897102467 /nfs/dbraw/zinc/10/24/67/897102467.db2.gz FFMVCHRPSRABPN-QHCPKHFHSA-N 1 2 409.917 4.108 20 30 HIEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 ZINC000481711485 897102473 /nfs/dbraw/zinc/10/24/73/897102473.db2.gz FFMVCHRPSRABPN-QHCPKHFHSA-N 1 2 409.917 4.108 20 30 HIEDLO Cc1cc(C(=O)CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000482607451 898207750 /nfs/dbraw/zinc/20/77/50/898207750.db2.gz PLQSSRURMSJELL-UHFFFAOYSA-N 1 2 409.555 4.002 20 30 HIEDLO N#C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C[C@]12C(=O)Nc1ccccc12 ZINC000483249631 898891265 /nfs/dbraw/zinc/89/12/65/898891265.db2.gz XJLPDNPXOCTDEA-FATZIPQQSA-N 1 2 405.404 4.070 20 30 HIEDLO N#C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C[C@]12C(=O)Nc1ccccc12 ZINC000483249631 898891270 /nfs/dbraw/zinc/89/12/70/898891270.db2.gz XJLPDNPXOCTDEA-FATZIPQQSA-N 1 2 405.404 4.070 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc4cc(C(F)(F)F)ccc4o3)CC2)cc1 ZINC000483411269 899040425 /nfs/dbraw/zinc/04/04/25/899040425.db2.gz RGJRJJKTTLTCKP-UHFFFAOYSA-N 1 2 400.404 4.036 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487870990 902416561 /nfs/dbraw/zinc/41/65/61/902416561.db2.gz BJSHIPDGJLZDEB-UHFFFAOYSA-N 1 2 404.312 4.024 20 30 HIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000491081403 904416133 /nfs/dbraw/zinc/41/61/33/904416133.db2.gz BCQVHYWMIOBAFP-XMMPIXPASA-N 1 2 420.557 4.122 20 30 HIEDLO C=CCNc1ncc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)s1 ZINC000506229750 914853435 /nfs/dbraw/zinc/85/34/35/914853435.db2.gz GTWRIPIOFBNMBL-UHFFFAOYSA-N 1 2 416.550 4.269 20 30 HIEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000506247176 914861509 /nfs/dbraw/zinc/86/15/09/914861509.db2.gz SAEFDSFIUBJHSJ-UHFFFAOYSA-N 1 2 401.495 4.145 20 30 HIEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(Br)c(F)c1 ZINC000494245516 905572772 /nfs/dbraw/zinc/57/27/72/905572772.db2.gz RRZKAGKGNQERIV-UHFFFAOYSA-N 1 2 410.674 4.184 20 30 HIEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(Br)c(F)c1 ZINC000494245516 905572786 /nfs/dbraw/zinc/57/27/86/905572786.db2.gz RRZKAGKGNQERIV-UHFFFAOYSA-N 1 2 410.674 4.184 20 30 HIEDLO Cc1csc(C2([NH2+]CC(=O)Nc3ccccc3SC[C@H](C)C#N)CCC2)n1 ZINC000494801735 906001611 /nfs/dbraw/zinc/00/16/11/906001611.db2.gz SSLJKBLCWUSLED-CQSZACIVSA-N 1 2 400.573 4.311 20 30 HIEDLO FC(F)C(F)(F)CN1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000494958240 906128833 /nfs/dbraw/zinc/12/88/33/906128833.db2.gz GISWCYSLGJDUPL-UHFFFAOYSA-N 1 2 424.364 4.114 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000512527066 921216000 /nfs/dbraw/zinc/21/60/00/921216000.db2.gz NFQXOKNSHGGLKJ-LJQANCHMSA-N 1 2 407.562 4.071 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000512527066 921216006 /nfs/dbraw/zinc/21/60/06/921216006.db2.gz NFQXOKNSHGGLKJ-LJQANCHMSA-N 1 2 407.562 4.071 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1C ZINC000497747109 907241115 /nfs/dbraw/zinc/24/11/15/907241115.db2.gz CUKWKTHWEVLFES-HSZRJFAPSA-N 1 2 423.532 4.370 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1C ZINC000497747109 907241158 /nfs/dbraw/zinc/24/11/58/907241158.db2.gz CUKWKTHWEVLFES-HSZRJFAPSA-N 1 2 423.532 4.370 20 30 HIEDLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512818800 921322677 /nfs/dbraw/zinc/32/26/77/921322677.db2.gz YSXZETUUDGZTRU-HNNXBMFYSA-N 1 2 424.451 4.415 20 30 HIEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1cccs1 ZINC000499056969 908427492 /nfs/dbraw/zinc/42/74/92/908427492.db2.gz RXMQJIMLAASPEV-HXUWFJFHSA-N 1 2 412.555 4.261 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1cccs1 ZINC000499056969 908427500 /nfs/dbraw/zinc/42/75/00/908427500.db2.gz RXMQJIMLAASPEV-HXUWFJFHSA-N 1 2 412.555 4.261 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000499176025 908530687 /nfs/dbraw/zinc/53/06/87/908530687.db2.gz NVAQMSHSBUBNPC-PMACEKPBSA-N 1 2 419.978 4.171 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000499176025 908530701 /nfs/dbraw/zinc/53/07/01/908530701.db2.gz NVAQMSHSBUBNPC-PMACEKPBSA-N 1 2 419.978 4.171 20 30 HIEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cc(C#N)ccc3C(F)(F)F)CC2)cs1 ZINC000500697646 910030204 /nfs/dbraw/zinc/03/02/04/910030204.db2.gz MUXHQTITJGBFIJ-AWEZNQCLSA-N 1 2 424.492 4.453 20 30 HIEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cc(C#N)ccc3C(F)(F)F)CC2)cs1 ZINC000500697646 910030220 /nfs/dbraw/zinc/03/02/20/910030220.db2.gz MUXHQTITJGBFIJ-AWEZNQCLSA-N 1 2 424.492 4.453 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000513108415 921555529 /nfs/dbraw/zinc/55/55/29/921555529.db2.gz NWOLBNMJVROWNS-UHFFFAOYSA-N 1 2 412.493 4.062 20 30 HIEDLO C=CCCC[C@@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000501557348 910660218 /nfs/dbraw/zinc/66/02/18/910660218.db2.gz UPXOXBWCGRKUEP-OAHLLOKOSA-N 1 2 409.328 4.195 20 30 HIEDLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000502253058 911209015 /nfs/dbraw/zinc/20/90/15/911209015.db2.gz MACMIZHYIJNIEN-WOKGAFQDSA-N 1 2 411.427 4.454 20 30 HIEDLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000502253058 911209032 /nfs/dbraw/zinc/20/90/32/911209032.db2.gz MACMIZHYIJNIEN-WOKGAFQDSA-N 1 2 411.427 4.454 20 30 HIEDLO C=CCn1c(SCCn2cc[nH+]c2)nc2scc(-c3cccs3)c2c1=O ZINC000513300563 921696319 /nfs/dbraw/zinc/69/63/19/921696319.db2.gz KPPAXXHHZVXYNA-UHFFFAOYSA-N 1 2 400.554 4.361 20 30 HIEDLO COc1ccc(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2CC2)c(OC)c1 ZINC000503199986 912177623 /nfs/dbraw/zinc/17/76/23/912177623.db2.gz ASWHJCQPNUSJHG-UHFFFAOYSA-N 1 2 404.470 4.038 20 30 HIEDLO COc1ccc(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC2CC2)c(OC)c1 ZINC000503199986 912177631 /nfs/dbraw/zinc/17/76/31/912177631.db2.gz ASWHJCQPNUSJHG-UHFFFAOYSA-N 1 2 404.470 4.038 20 30 HIEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000506300173 914893794 /nfs/dbraw/zinc/89/37/94/914893794.db2.gz IZFIGDZOHNLORV-QHCPKHFHSA-N 1 2 411.461 4.114 20 30 HIEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000506300173 914893797 /nfs/dbraw/zinc/89/37/97/914893797.db2.gz IZFIGDZOHNLORV-QHCPKHFHSA-N 1 2 411.461 4.114 20 30 HIEDLO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1Cl ZINC000506446663 915049364 /nfs/dbraw/zinc/04/93/64/915049364.db2.gz XIZFZAVWTABRBH-UHFFFAOYSA-N 1 2 402.897 4.392 20 30 HIEDLO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1Cl ZINC000506446663 915049385 /nfs/dbraw/zinc/04/93/85/915049385.db2.gz XIZFZAVWTABRBH-UHFFFAOYSA-N 1 2 402.897 4.392 20 30 HIEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000506802551 915544446 /nfs/dbraw/zinc/54/44/46/915544446.db2.gz CDDXTOXUHDFNEE-UHFFFAOYSA-N 1 2 401.894 4.102 20 30 HIEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000506802551 915544459 /nfs/dbraw/zinc/54/44/59/915544459.db2.gz CDDXTOXUHDFNEE-UHFFFAOYSA-N 1 2 401.894 4.102 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507234283 915993241 /nfs/dbraw/zinc/99/32/41/915993241.db2.gz PZSUPOMQVISSGW-IERDGZPVSA-N 1 2 423.582 4.461 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507234283 915993268 /nfs/dbraw/zinc/99/32/68/915993268.db2.gz PZSUPOMQVISSGW-IERDGZPVSA-N 1 2 423.582 4.461 20 30 HIEDLO COCC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2n1C)Cc1ccc(C#N)cc1 ZINC000508573317 917347050 /nfs/dbraw/zinc/34/70/50/917347050.db2.gz YRUXOGVAAZKRKS-UHFFFAOYSA-N 1 2 402.420 4.112 20 30 HIEDLO COCC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2n1C)Cc1ccc(C#N)cc1 ZINC000508573317 917347063 /nfs/dbraw/zinc/34/70/63/917347063.db2.gz YRUXOGVAAZKRKS-UHFFFAOYSA-N 1 2 402.420 4.112 20 30 HIEDLO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000508715842 917477197 /nfs/dbraw/zinc/47/71/97/917477197.db2.gz NTDXXHBBPHJWNU-OAQYLSRUSA-N 1 2 424.499 4.078 20 30 HIEDLO C=CCn1c(C2CCC2)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000508851355 917604281 /nfs/dbraw/zinc/60/42/81/917604281.db2.gz ZEZIIZRMXYGDFH-UHFFFAOYSA-N 1 2 405.468 4.073 20 30 HIEDLO N#CCCN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000509058464 917806187 /nfs/dbraw/zinc/80/61/87/917806187.db2.gz WOAYIYLTNWAKFW-UHFFFAOYSA-N 1 2 422.916 4.002 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000511126374 919740254 /nfs/dbraw/zinc/74/02/54/919740254.db2.gz PSHRASHMDPARBQ-GOSISDBHSA-N 1 2 422.472 4.230 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000511126374 919740273 /nfs/dbraw/zinc/74/02/73/919740273.db2.gz PSHRASHMDPARBQ-GOSISDBHSA-N 1 2 422.472 4.230 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)c1C#N ZINC000511143879 919763885 /nfs/dbraw/zinc/76/38/85/919763885.db2.gz RDUGWBIVDSGXJK-UHFFFAOYSA-N 1 2 414.509 4.346 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC=C(c3ccco3)C2)c1C#N ZINC000511143879 919763887 /nfs/dbraw/zinc/76/38/87/919763887.db2.gz RDUGWBIVDSGXJK-UHFFFAOYSA-N 1 2 414.509 4.346 20 30 HIEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1Cl ZINC000515816348 923370000 /nfs/dbraw/zinc/37/00/00/923370000.db2.gz VXKCOBIXYMRBQQ-AOMKIAJQSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1Cl ZINC000515816348 923370014 /nfs/dbraw/zinc/37/00/14/923370014.db2.gz VXKCOBIXYMRBQQ-AOMKIAJQSA-N 1 2 410.949 4.288 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000519515685 928005756 /nfs/dbraw/zinc/00/57/56/928005756.db2.gz RNHVUGCXSROHLW-AWEZNQCLSA-N 1 2 407.455 4.427 20 30 HIEDLO CC(C)[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520761867 928805475 /nfs/dbraw/zinc/80/54/75/928805475.db2.gz IWZPKNQGPWAIRJ-YDIMBITNSA-N 1 2 421.541 4.210 20 30 HIEDLO CC(C)[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520761867 928805479 /nfs/dbraw/zinc/80/54/79/928805479.db2.gz IWZPKNQGPWAIRJ-YDIMBITNSA-N 1 2 421.541 4.210 20 30 HIEDLO C=CC[N@H+](Cc1cc(F)ccc1Br)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520936465 928881528 /nfs/dbraw/zinc/88/15/28/928881528.db2.gz BDTSSPOCZJCIHC-AWEZNQCLSA-N 1 2 416.298 4.313 20 30 HIEDLO C=CC[N@@H+](Cc1cc(F)ccc1Br)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520936465 928881529 /nfs/dbraw/zinc/88/15/29/928881529.db2.gz BDTSSPOCZJCIHC-AWEZNQCLSA-N 1 2 416.298 4.313 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(C(F)(F)F)c1 ZINC000521702575 929376711 /nfs/dbraw/zinc/37/67/11/929376711.db2.gz QRVUSFKODUSGSA-QGZVFWFLSA-N 1 2 406.383 4.112 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(C(F)(F)F)c1 ZINC000521702575 929376726 /nfs/dbraw/zinc/37/67/26/929376726.db2.gz QRVUSFKODUSGSA-QGZVFWFLSA-N 1 2 406.383 4.112 20 30 HIEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000521787429 929445837 /nfs/dbraw/zinc/44/58/37/929445837.db2.gz JEUMZUUEEMONSE-UHFFFAOYSA-N 1 2 401.514 4.171 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000525635429 930376168 /nfs/dbraw/zinc/37/61/68/930376168.db2.gz ZBOMVNHZOQFHBX-HSZRJFAPSA-N 1 2 408.542 4.446 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000525635429 930376170 /nfs/dbraw/zinc/37/61/70/930376170.db2.gz ZBOMVNHZOQFHBX-HSZRJFAPSA-N 1 2 408.542 4.446 20 30 HIEDLO COc1cccc(NC2CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000532588488 931545906 /nfs/dbraw/zinc/54/59/06/931545906.db2.gz SKRMZOKAPMCRMD-OAHLLOKOSA-N 1 2 424.570 4.021 20 30 HIEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000532749356 931622206 /nfs/dbraw/zinc/62/22/06/931622206.db2.gz MNQGPFKPBUXAAG-UHFFFAOYSA-N 1 2 414.484 4.272 20 30 HIEDLO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+](CC#N)C2CCCC2)cc1 ZINC000533312055 931836557 /nfs/dbraw/zinc/83/65/57/931836557.db2.gz KNHGLRFYRMLKSX-UHFFFAOYSA-N 1 2 420.513 4.044 20 30 HIEDLO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+](CC#N)C2CCCC2)cc1 ZINC000533312055 931836558 /nfs/dbraw/zinc/83/65/58/931836558.db2.gz KNHGLRFYRMLKSX-UHFFFAOYSA-N 1 2 420.513 4.044 20 30 HIEDLO COc1ccc(CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cc1C#N ZINC000533331464 931840548 /nfs/dbraw/zinc/84/05/48/931840548.db2.gz DXGKTMPPRFLYMU-CQSZACIVSA-N 1 2 411.506 4.202 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 ZINC000535150505 932968373 /nfs/dbraw/zinc/96/83/73/932968373.db2.gz ZEXWOIJXRNVRRW-INIZCTEOSA-N 1 2 406.873 4.367 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884041 933464905 /nfs/dbraw/zinc/46/49/05/933464905.db2.gz AQCRLYGGONOFSS-CTNGQTDRSA-N 1 2 417.937 4.146 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884041 933464909 /nfs/dbraw/zinc/46/49/09/933464909.db2.gz AQCRLYGGONOFSS-CTNGQTDRSA-N 1 2 417.937 4.146 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536017470 933574868 /nfs/dbraw/zinc/57/48/68/933574868.db2.gz IPRUEQFJBYMDMJ-MRXNPFEDSA-N 1 2 400.573 4.492 20 30 HIEDLO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000537854163 938391133 /nfs/dbraw/zinc/39/11/33/938391133.db2.gz QPPFHGTXBWRILW-MRXNPFEDSA-N 1 2 419.529 4.344 20 30 HIEDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000539358253 938847931 /nfs/dbraw/zinc/84/79/31/938847931.db2.gz PHYPWSVVFNCDPJ-OAHLLOKOSA-N 1 2 424.476 4.055 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541154723 939478885 /nfs/dbraw/zinc/47/88/85/939478885.db2.gz WDUKJHOZMOBVDC-CTNGQTDRSA-N 1 2 421.463 4.273 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541154723 939478892 /nfs/dbraw/zinc/47/88/92/939478892.db2.gz WDUKJHOZMOBVDC-CTNGQTDRSA-N 1 2 421.463 4.273 20 30 HIEDLO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1nccs1 ZINC000542522224 939836991 /nfs/dbraw/zinc/83/69/91/939836991.db2.gz RMNVMVZUXREWMH-IBGZPJMESA-N 1 2 407.543 4.161 20 30 HIEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cs1 ZINC000542574826 939845532 /nfs/dbraw/zinc/84/55/32/939845532.db2.gz WQUBRGMWLFCVLR-OAHLLOKOSA-N 1 2 407.543 4.274 20 30 HIEDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)n1 ZINC000542579930 939845957 /nfs/dbraw/zinc/84/59/57/939845957.db2.gz CJONREOGQFJFOU-AWEZNQCLSA-N 1 2 411.506 4.159 20 30 HIEDLO C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542975496 939889733 /nfs/dbraw/zinc/88/97/33/939889733.db2.gz JFWKCOCIFFGRGO-MBSDFSHPSA-N 1 2 411.509 4.259 20 30 HIEDLO C[NH+](C)[C@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1cccc(Cl)c1 ZINC000543003310 939894075 /nfs/dbraw/zinc/89/40/75/939894075.db2.gz NPICELBBYGIAMC-IBGZPJMESA-N 1 2 414.296 4.292 20 30 HIEDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)n1 ZINC000543508554 940089232 /nfs/dbraw/zinc/08/92/32/940089232.db2.gz NRTIWHLFXDTUCU-INIZCTEOSA-N 1 2 407.543 4.079 20 30 HIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1C ZINC000543888738 940227277 /nfs/dbraw/zinc/22/72/77/940227277.db2.gz ZXSWXKKBKKDGLG-UHFFFAOYSA-N 1 2 424.892 4.082 20 30 HIEDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000544452365 940436910 /nfs/dbraw/zinc/43/69/10/940436910.db2.gz PKTOMERKOHHWBU-KDOFPFPSSA-N 1 2 415.559 4.348 20 30 HIEDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000544452364 940437293 /nfs/dbraw/zinc/43/72/93/940437293.db2.gz PKTOMERKOHHWBU-KBXCAEBGSA-N 1 2 415.559 4.348 20 30 HIEDLO Cc1cc(Br)cn2cc(CCNc3nc(C(F)(F)F)ccc3C#N)[nH+]c12 ZINC000546052720 940683318 /nfs/dbraw/zinc/68/33/18/940683318.db2.gz BPXWLZBNOQMIEZ-UHFFFAOYSA-N 1 2 424.224 4.345 20 30 HIEDLO COc1ccc(-n2c(C[NH+]3CCC(C#N)(c4ccccn4)CC3)nc3ccccc32)cc1 ZINC000548799132 941124569 /nfs/dbraw/zinc/12/45/69/941124569.db2.gz DZWKJEVLESLTFA-UHFFFAOYSA-N 1 2 423.520 4.486 20 30 HIEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)C1=O ZINC000549446128 941190882 /nfs/dbraw/zinc/19/08/82/941190882.db2.gz LOUIGUIUIMASHE-BXUZGUMPSA-N 1 2 412.349 4.304 20 30 HIEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)C1=O ZINC000549446128 941190883 /nfs/dbraw/zinc/19/08/83/941190883.db2.gz LOUIGUIUIMASHE-BXUZGUMPSA-N 1 2 412.349 4.304 20 30 HIEDLO CCC[N@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Cc1ccc(C#N)cc1 ZINC000549998341 941262028 /nfs/dbraw/zinc/26/20/28/941262028.db2.gz YYPQMNTXYZCJAZ-UHFFFAOYSA-N 1 2 415.419 4.304 20 30 HIEDLO CCC[N@@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Cc1ccc(C#N)cc1 ZINC000549998341 941262030 /nfs/dbraw/zinc/26/20/30/941262030.db2.gz YYPQMNTXYZCJAZ-UHFFFAOYSA-N 1 2 415.419 4.304 20 30 HIEDLO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000551407823 941471416 /nfs/dbraw/zinc/47/14/16/941471416.db2.gz POAPFKADZVMJFA-UHFFFAOYSA-N 1 2 417.459 4.461 20 30 HIEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)C[C@H](C)O1 ZINC000554310508 942098653 /nfs/dbraw/zinc/09/86/53/942098653.db2.gz OSJZAQJABYAUOD-ZRGWGRIASA-N 1 2 417.431 4.200 20 30 HIEDLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)C[C@H](C)O1 ZINC000554310508 942098662 /nfs/dbraw/zinc/09/86/62/942098662.db2.gz OSJZAQJABYAUOD-ZRGWGRIASA-N 1 2 417.431 4.200 20 30 HIEDLO CC(C)(C)C[C@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000554565190 942168885 /nfs/dbraw/zinc/16/88/85/942168885.db2.gz BPCCLCCOJSMFNK-NRFANRHFSA-N 1 2 422.548 4.372 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c1C#N ZINC000558102870 943379481 /nfs/dbraw/zinc/37/94/81/943379481.db2.gz GZWYSQMTIYMSIP-JOCHJYFZSA-N 1 2 417.488 4.276 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)c1C#N ZINC000558102870 943379489 /nfs/dbraw/zinc/37/94/89/943379489.db2.gz GZWYSQMTIYMSIP-JOCHJYFZSA-N 1 2 417.488 4.276 20 30 HIEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000558171609 943407161 /nfs/dbraw/zinc/40/71/61/943407161.db2.gz AZJDQYGVEXLGRL-UHFFFAOYSA-N 1 2 404.489 4.020 20 30 HIEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000558171609 943407164 /nfs/dbraw/zinc/40/71/64/943407164.db2.gz AZJDQYGVEXLGRL-UHFFFAOYSA-N 1 2 404.489 4.020 20 30 HIEDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1)C1(C#N)CCCCC1 ZINC000559144128 943853488 /nfs/dbraw/zinc/85/34/88/943853488.db2.gz STTHFNLEVYBAFD-GOSISDBHSA-N 1 2 404.352 4.271 20 30 HIEDLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1)C1(C#N)CCCCC1 ZINC000559144128 943853489 /nfs/dbraw/zinc/85/34/89/943853489.db2.gz STTHFNLEVYBAFD-GOSISDBHSA-N 1 2 404.352 4.271 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000560207846 944197367 /nfs/dbraw/zinc/19/73/67/944197367.db2.gz NTCFNHLZNSMVHP-KRWDZBQOSA-N 1 2 412.534 4.375 20 30 HIEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000564158321 945407008 /nfs/dbraw/zinc/40/70/08/945407008.db2.gz ZBUOPYACKOIPGA-UHFFFAOYSA-N 1 2 407.495 4.059 20 30 HIEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000564158321 945407014 /nfs/dbraw/zinc/40/70/14/945407014.db2.gz ZBUOPYACKOIPGA-UHFFFAOYSA-N 1 2 407.495 4.059 20 30 HIEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000565097765 945774297 /nfs/dbraw/zinc/77/42/97/945774297.db2.gz DKLLYDVASIMDNN-UHFFFAOYSA-N 1 2 416.403 4.276 20 30 HIEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000565097765 945774311 /nfs/dbraw/zinc/77/43/11/945774311.db2.gz DKLLYDVASIMDNN-UHFFFAOYSA-N 1 2 416.403 4.276 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000567971903 946434475 /nfs/dbraw/zinc/43/44/75/946434475.db2.gz JWBPJHJPUGVORW-UHFFFAOYSA-N 1 2 418.501 4.449 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000569710758 946949371 /nfs/dbraw/zinc/94/93/71/946949371.db2.gz XBXJILLGXUQUER-XMMPIXPASA-N 1 2 420.532 4.126 20 30 HIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000570115846 947099322 /nfs/dbraw/zinc/09/93/22/947099322.db2.gz XELJVCPAOQHKCB-UHFFFAOYSA-N 1 2 422.533 4.350 20 30 HIEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3cncc4ccccc43)CC2)c1 ZINC000570828640 947363490 /nfs/dbraw/zinc/36/34/90/947363490.db2.gz UYCFBEPDVOZSEV-UHFFFAOYSA-N 1 2 407.315 4.191 20 30 HIEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c(C#N)c1C ZINC000571366966 947623013 /nfs/dbraw/zinc/62/30/13/947623013.db2.gz YDBCIFKLVRRYCQ-UHFFFAOYSA-N 1 2 412.490 4.335 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1C#N ZINC000572131045 947848145 /nfs/dbraw/zinc/84/81/45/947848145.db2.gz DFIJXDJKROHSRY-LJQANCHMSA-N 1 2 420.488 4.185 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1C#N ZINC000572131045 947848146 /nfs/dbraw/zinc/84/81/46/947848146.db2.gz DFIJXDJKROHSRY-LJQANCHMSA-N 1 2 420.488 4.185 20 30 HIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c3ccccc3)n2)cc1 ZINC000574486486 948456318 /nfs/dbraw/zinc/45/63/18/948456318.db2.gz GZXPTWNLJYXRRI-QZTJIDSGSA-N 1 2 417.513 4.285 20 30 HIEDLO COc1cc(C[N@H+](C)CC(=O)Nc2sccc2C#N)ccc1OCc1ccccc1 ZINC000008310262 845511763 /nfs/dbraw/zinc/51/17/63/845511763.db2.gz APVZBIYVLHIFAB-UHFFFAOYSA-N 1 2 421.522 4.278 20 30 HIEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)ccc1OCc1ccccc1 ZINC000008310262 845511768 /nfs/dbraw/zinc/51/17/68/845511768.db2.gz APVZBIYVLHIFAB-UHFFFAOYSA-N 1 2 421.522 4.278 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 ZINC000009757895 845588480 /nfs/dbraw/zinc/58/84/80/845588480.db2.gz PAODRHNLGWEWAB-JOCHJYFZSA-N 1 2 408.933 4.190 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(COc4ccccc4)cc3)CC2)cc1 ZINC000015742313 846088706 /nfs/dbraw/zinc/08/87/06/846088706.db2.gz RWEKJQJFGXGDNR-UHFFFAOYSA-N 1 2 411.505 4.095 20 30 HIEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)s1 ZINC000026811983 847201437 /nfs/dbraw/zinc/20/14/37/847201437.db2.gz PDQJVPCMWIRKRG-UHFFFAOYSA-N 1 2 400.853 4.020 20 30 HIEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)s1 ZINC000026811983 847201450 /nfs/dbraw/zinc/20/14/50/847201450.db2.gz PDQJVPCMWIRKRG-UHFFFAOYSA-N 1 2 400.853 4.020 20 30 HIEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031896727 847962329 /nfs/dbraw/zinc/96/23/29/847962329.db2.gz NMWFKSRVCLIVQW-YWZLYKJASA-N 1 2 415.896 4.071 20 30 HIEDLO C=CCc1ccc(OCC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000059308563 850995159 /nfs/dbraw/zinc/99/51/59/850995159.db2.gz AKQUPWRPQPFBBV-RTBURBONSA-N 1 2 424.541 4.050 20 30 HIEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3csc(-c4ccc(C)o4)n3)c2)n1 ZINC000110180720 853069913 /nfs/dbraw/zinc/06/99/13/853069913.db2.gz MYMVIWOKDXMWMO-UHFFFAOYSA-N 1 2 421.526 4.410 20 30 HIEDLO N#Cc1nc(Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)ccc1Cl ZINC000301504959 854408776 /nfs/dbraw/zinc/40/87/76/854408776.db2.gz GLAMNGUGVDBNLC-UHFFFAOYSA-N 1 2 410.934 4.324 20 30 HIEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301861723 854478433 /nfs/dbraw/zinc/47/84/33/854478433.db2.gz DWMUYLYRQNAMCQ-DOTOQJQBSA-N 1 2 410.827 4.109 20 30 HIEDLO C[N@H+]1CCO[C@H]([C@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301861723 854478438 /nfs/dbraw/zinc/47/84/38/854478438.db2.gz DWMUYLYRQNAMCQ-DOTOQJQBSA-N 1 2 410.827 4.109 20 30 HIEDLO CC(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303223143 854824138 /nfs/dbraw/zinc/82/41/38/854824138.db2.gz VMBGKLFOQPNTKY-GLDPYIMESA-N 1 2 421.541 4.210 20 30 HIEDLO CC(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303223143 854824141 /nfs/dbraw/zinc/82/41/41/854824141.db2.gz VMBGKLFOQPNTKY-GLDPYIMESA-N 1 2 421.541 4.210 20 30 HIEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000303238388 854830984 /nfs/dbraw/zinc/83/09/84/854830984.db2.gz ZZNFSRAQSIVYHZ-HXUWFJFHSA-N 1 2 421.888 4.031 20 30 HIEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000303238388 854830987 /nfs/dbraw/zinc/83/09/87/854830987.db2.gz ZZNFSRAQSIVYHZ-HXUWFJFHSA-N 1 2 421.888 4.031 20 30 HIEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000409727205 855622971 /nfs/dbraw/zinc/62/29/71/855622971.db2.gz KAROTVFDKIOCFS-FUHWJXTLSA-N 1 2 410.827 4.109 20 30 HIEDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000409727205 855622973 /nfs/dbraw/zinc/62/29/73/855622973.db2.gz KAROTVFDKIOCFS-FUHWJXTLSA-N 1 2 410.827 4.109 20 30 HIEDLO Cc1cccc(C(=O)N2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000426398539 856275228 /nfs/dbraw/zinc/27/52/28/856275228.db2.gz YUICQAACLLSHDM-UHFFFAOYSA-N 1 2 400.444 4.213 20 30 HIEDLO Cc1cccc(C(=O)N2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000426398539 856275241 /nfs/dbraw/zinc/27/52/41/856275241.db2.gz YUICQAACLLSHDM-UHFFFAOYSA-N 1 2 400.444 4.213 20 30 HIEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c(C#N)c1C ZINC000426407610 856277582 /nfs/dbraw/zinc/27/75/82/856277582.db2.gz VVCJQYLBNSGWLP-AEFFLSMTSA-N 1 2 424.353 4.072 20 30 HIEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c(C#N)c1C ZINC000426407610 856277590 /nfs/dbraw/zinc/27/75/90/856277590.db2.gz VVCJQYLBNSGWLP-AEFFLSMTSA-N 1 2 424.353 4.072 20 30 HIEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000429132874 857526211 /nfs/dbraw/zinc/52/62/11/857526211.db2.gz XKBAMEOJKSGBPE-CQSZACIVSA-N 1 2 411.868 4.111 20 30 HIEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000429132874 857526219 /nfs/dbraw/zinc/52/62/19/857526219.db2.gz XKBAMEOJKSGBPE-CQSZACIVSA-N 1 2 411.868 4.111 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000432059175 858957261 /nfs/dbraw/zinc/95/72/61/858957261.db2.gz ARDCXEBKUVXANS-UHFFFAOYSA-N 1 2 405.458 4.159 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000432965482 859453290 /nfs/dbraw/zinc/45/32/90/859453290.db2.gz NDYDIMWVDVJGHO-NRFANRHFSA-N 1 2 415.541 4.256 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000432965482 859453294 /nfs/dbraw/zinc/45/32/94/859453294.db2.gz NDYDIMWVDVJGHO-NRFANRHFSA-N 1 2 415.541 4.256 20 30 HIEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2cc(C#N)cn2C(C)(C)C)c(C)c1 ZINC000433855245 859937380 /nfs/dbraw/zinc/93/73/80/859937380.db2.gz SCGILIDFBOKTHV-FQEVSTJZSA-N 1 2 404.518 4.491 20 30 HIEDLO CCn1nccc1C1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000434797014 860497655 /nfs/dbraw/zinc/49/76/55/860497655.db2.gz SGXHQPATTBFDLZ-QGZVFWFLSA-N 1 2 411.575 4.115 20 30 HIEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000434983021 860585213 /nfs/dbraw/zinc/58/52/13/860585213.db2.gz OTYTUTOEXUGXMS-DEOSSOPVSA-N 1 2 403.505 4.011 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000435132169 860655961 /nfs/dbraw/zinc/65/59/61/860655961.db2.gz IGMVUFYLQDSNFX-VWLOTQADSA-N 1 2 408.509 4.265 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000435132169 860655963 /nfs/dbraw/zinc/65/59/63/860655963.db2.gz IGMVUFYLQDSNFX-VWLOTQADSA-N 1 2 408.509 4.265 20 30 HIEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)c2)cc1 ZINC000438027925 863386925 /nfs/dbraw/zinc/38/69/25/863386925.db2.gz MGXHMRUXBJHCHQ-NRFANRHFSA-N 1 2 420.513 4.069 20 30 HIEDLO N#CCCN(C(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)c1ccccc1 ZINC000441020614 866087594 /nfs/dbraw/zinc/08/75/94/866087594.db2.gz OHEBBFHLUMCTII-HSZRJFAPSA-N 1 2 404.901 4.361 20 30 HIEDLO COCC[N@H+](Cc1csc(-c2cccc(C(=O)OC)c2)n1)Cc1ccc(C#N)cc1 ZINC000441482102 866562162 /nfs/dbraw/zinc/56/21/62/866562162.db2.gz QJZZGUYZRBHBIK-UHFFFAOYSA-N 1 2 421.522 4.117 20 30 HIEDLO COCC[N@@H+](Cc1csc(-c2cccc(C(=O)OC)c2)n1)Cc1ccc(C#N)cc1 ZINC000441482102 866562174 /nfs/dbraw/zinc/56/21/74/866562174.db2.gz QJZZGUYZRBHBIK-UHFFFAOYSA-N 1 2 421.522 4.117 20 30 HIEDLO N#Cc1cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1OC(F)(F)F ZINC000442045157 867081112 /nfs/dbraw/zinc/08/11/12/867081112.db2.gz MGGYYTGBUGTURV-UHFFFAOYSA-N 1 2 415.375 4.023 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000444692624 868959649 /nfs/dbraw/zinc/95/96/49/868959649.db2.gz FPONTSKWSWPKEC-INIZCTEOSA-N 1 2 404.436 4.179 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000444692624 868959653 /nfs/dbraw/zinc/95/96/53/868959653.db2.gz FPONTSKWSWPKEC-INIZCTEOSA-N 1 2 404.436 4.179 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000445819831 869842051 /nfs/dbraw/zinc/84/20/51/869842051.db2.gz CZFDTPQUKBQXID-RBBKRZOGSA-N 1 2 416.481 4.113 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000445819831 869842057 /nfs/dbraw/zinc/84/20/57/869842057.db2.gz CZFDTPQUKBQXID-RBBKRZOGSA-N 1 2 416.481 4.113 20 30 HIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447852524 871771510 /nfs/dbraw/zinc/77/15/10/871771510.db2.gz APGIUQHHPCZGGL-XZOQPEGZSA-N 1 2 413.525 4.260 20 30 HIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447852524 871771525 /nfs/dbraw/zinc/77/15/25/871771525.db2.gz APGIUQHHPCZGGL-XZOQPEGZSA-N 1 2 413.525 4.260 20 30 HIEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](c3cccc(Cl)c3)c3ccccn3)C2=O)cc1 ZINC000447890222 871802840 /nfs/dbraw/zinc/80/28/40/871802840.db2.gz VRNFEAPSHJEZAK-XZOQPEGZSA-N 1 2 416.912 4.481 20 30 HIEDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000468538422 882571017 /nfs/dbraw/zinc/57/10/17/882571017.db2.gz WOBMFVHIQWFYHM-IBGZPJMESA-N 1 2 418.566 4.473 20 30 HIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000462203314 875311507 /nfs/dbraw/zinc/31/15/07/875311507.db2.gz YRZNOMQPKONAGF-INIZCTEOSA-N 1 2 421.488 4.207 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000468946361 883011035 /nfs/dbraw/zinc/01/10/35/883011035.db2.gz KEWNPCLACIVKLX-HXUWFJFHSA-N 1 2 400.567 4.167 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000468946361 883011055 /nfs/dbraw/zinc/01/10/55/883011055.db2.gz KEWNPCLACIVKLX-HXUWFJFHSA-N 1 2 400.567 4.167 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](OCC(C)C)C2)c1C#N ZINC000468946140 883011181 /nfs/dbraw/zinc/01/11/81/883011181.db2.gz KEWNPCLACIVKLX-FQEVSTJZSA-N 1 2 400.567 4.167 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](OCC(C)C)C2)c1C#N ZINC000468946140 883011204 /nfs/dbraw/zinc/01/12/04/883011204.db2.gz KEWNPCLACIVKLX-FQEVSTJZSA-N 1 2 400.567 4.167 20 30 HIEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)cc3C(F)(F)F)CC2)cs1 ZINC000463657086 876778135 /nfs/dbraw/zinc/77/81/35/876778135.db2.gz WVYCGRQFAROMNS-CQSZACIVSA-N 1 2 424.492 4.453 20 30 HIEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)cc3C(F)(F)F)CC2)cs1 ZINC000463657086 876778142 /nfs/dbraw/zinc/77/81/42/876778142.db2.gz WVYCGRQFAROMNS-CQSZACIVSA-N 1 2 424.492 4.453 20 30 HIEDLO Cc1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H]2CCCO2)c(Br)c1 ZINC000467517656 881332031 /nfs/dbraw/zinc/33/20/31/881332031.db2.gz WZCDCCIGPUZCLG-IBGZPJMESA-N 1 2 402.336 4.149 20 30 HIEDLO Cc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H]2CCCO2)c(Br)c1 ZINC000467517656 881332051 /nfs/dbraw/zinc/33/20/51/881332051.db2.gz WZCDCCIGPUZCLG-IBGZPJMESA-N 1 2 402.336 4.149 20 30 HIEDLO CC(C)(C)C1CCC(C#N)(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000470198078 884508820 /nfs/dbraw/zinc/50/88/20/884508820.db2.gz NZUQXWPWIPTEPE-UHFFFAOYSA-N 1 2 421.545 4.140 20 30 HIEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](c2ccsc2)O1 ZINC000470199419 884511027 /nfs/dbraw/zinc/51/10/27/884511027.db2.gz YTBNHLYJPRQTMB-KDOFPFPSSA-N 1 2 415.584 4.351 20 30 HIEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](c2ccsc2)O1 ZINC000470199419 884511051 /nfs/dbraw/zinc/51/10/51/884511051.db2.gz YTBNHLYJPRQTMB-KDOFPFPSSA-N 1 2 415.584 4.351 20 30 HIEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000504437419 913247923 /nfs/dbraw/zinc/24/79/23/913247923.db2.gz ZNOULXRRIJAOPI-HXUWFJFHSA-N 1 2 412.331 4.116 20 30 HIEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2s1 ZINC000504441167 913251096 /nfs/dbraw/zinc/25/10/96/913251096.db2.gz DVGODOHBSBHFOC-QGZVFWFLSA-N 1 2 404.539 4.361 20 30 HIEDLO COc1ccc(OC)c(C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)C)c1 ZINC000474172510 889011568 /nfs/dbraw/zinc/01/15/68/889011568.db2.gz QQQLAAUFHCLXLZ-UHFFFAOYSA-N 1 2 406.486 4.426 20 30 HIEDLO COc1ccc(OC)c(C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)C)c1 ZINC000474172510 889011586 /nfs/dbraw/zinc/01/15/86/889011586.db2.gz QQQLAAUFHCLXLZ-UHFFFAOYSA-N 1 2 406.486 4.426 20 30 HIEDLO COc1ccc(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C(C)(C)C)c(OC)c1 ZINC000474178783 889018756 /nfs/dbraw/zinc/01/87/56/889018756.db2.gz VLJPXPRTAZSENQ-UHFFFAOYSA-N 1 2 406.486 4.426 20 30 HIEDLO COc1ccc(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C(C)(C)C)c(OC)c1 ZINC000474178783 889018771 /nfs/dbraw/zinc/01/87/71/889018771.db2.gz VLJPXPRTAZSENQ-UHFFFAOYSA-N 1 2 406.486 4.426 20 30 HIEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475365936 890295126 /nfs/dbraw/zinc/29/51/26/890295126.db2.gz CNVDDDLQKKNLGS-UHFFFAOYSA-N 1 2 417.282 4.134 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000476669080 891617754 /nfs/dbraw/zinc/61/77/54/891617754.db2.gz RPMRDXANEUWNOZ-QGZVFWFLSA-N 1 2 419.300 4.321 20 30 HIEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c(OC)c1 ZINC000477461357 892427826 /nfs/dbraw/zinc/42/78/26/892427826.db2.gz VVBQJLYQYRMRJZ-LJQANCHMSA-N 1 2 409.530 4.088 20 30 HIEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c(OC)c1 ZINC000477461357 892427851 /nfs/dbraw/zinc/42/78/51/892427851.db2.gz VVBQJLYQYRMRJZ-LJQANCHMSA-N 1 2 409.530 4.088 20 30 HIEDLO CSc1ccc([C@H](CNC(=O)c2cc(C#N)c[nH]2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000479510592 894824461 /nfs/dbraw/zinc/82/44/61/894824461.db2.gz JNZIRCLFRIVNQL-FQEVSTJZSA-N 1 2 422.579 4.199 20 30 HIEDLO CSc1ccc([C@H](CNC(=O)c2cc(C#N)c[nH]2)[N@H+]2CCc3sccc3C2)cc1 ZINC000479510592 894824463 /nfs/dbraw/zinc/82/44/63/894824463.db2.gz JNZIRCLFRIVNQL-FQEVSTJZSA-N 1 2 422.579 4.199 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481705954 897095904 /nfs/dbraw/zinc/09/59/04/897095904.db2.gz WWWOBTSYEHMCHI-UUOWRZLLSA-N 1 2 421.566 4.398 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481705954 897095908 /nfs/dbraw/zinc/09/59/08/897095908.db2.gz WWWOBTSYEHMCHI-UUOWRZLLSA-N 1 2 421.566 4.398 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000482924574 898543228 /nfs/dbraw/zinc/54/32/28/898543228.db2.gz CRGUURPGZXJASB-UHFFFAOYSA-N 1 2 410.583 4.281 20 30 HIEDLO C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[NH+]1CCSCC1 ZINC000484902155 900282090 /nfs/dbraw/zinc/28/20/90/900282090.db2.gz CQAKCYCJZCILPC-OAHLLOKOSA-N 1 2 415.946 4.166 20 30 HIEDLO CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000505765197 914434583 /nfs/dbraw/zinc/43/45/83/914434583.db2.gz CUTBWTQCKIVWSK-UHFFFAOYSA-N 1 2 406.486 4.049 20 30 HIEDLO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000505765197 914434598 /nfs/dbraw/zinc/43/45/98/914434598.db2.gz CUTBWTQCKIVWSK-UHFFFAOYSA-N 1 2 406.486 4.049 20 30 HIEDLO N#C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000505939186 914590854 /nfs/dbraw/zinc/59/08/54/914590854.db2.gz UCKXIQFICOBFKN-RTBURBONSA-N 1 2 419.472 4.176 20 30 HIEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000490042808 903737986 /nfs/dbraw/zinc/73/79/86/903737986.db2.gz JTTJTBWGXLMUIY-BDAKNGLRSA-N 1 2 402.829 4.365 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490091898 903766836 /nfs/dbraw/zinc/76/68/36/903766836.db2.gz QJMUMNHBCVBUBK-VXGBXAGGSA-N 1 2 403.495 4.477 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490264567 903862841 /nfs/dbraw/zinc/86/28/41/903862841.db2.gz SYPGCCFILVZWFT-YADHBBJMSA-N 1 2 412.484 4.202 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490264567 903862843 /nfs/dbraw/zinc/86/28/43/903862843.db2.gz SYPGCCFILVZWFT-YADHBBJMSA-N 1 2 412.484 4.202 20 30 HIEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](c4ccccc4)C3)sc2C1 ZINC000506105220 914805421 /nfs/dbraw/zinc/80/54/21/914805421.db2.gz IERQLSRDVRTRQS-OXJNMPFZSA-N 1 2 409.555 4.147 20 30 HIEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H](c4ccccc4)C3)sc2C1 ZINC000506105220 914805422 /nfs/dbraw/zinc/80/54/22/914805422.db2.gz IERQLSRDVRTRQS-OXJNMPFZSA-N 1 2 409.555 4.147 20 30 HIEDLO COc1ccc(-c2cnc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)o2)cc1 ZINC000512821999 921325543 /nfs/dbraw/zinc/32/55/43/921325543.db2.gz DSRBNEDXQKLALS-UHFFFAOYSA-N 1 2 407.445 4.404 20 30 HIEDLO N#Cc1ccc(OCCN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000498911995 908322337 /nfs/dbraw/zinc/32/23/37/908322337.db2.gz BUKXXBKWHKUERU-UHFFFAOYSA-N 1 2 404.341 4.104 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000499739174 908894892 /nfs/dbraw/zinc/89/48/92/908894892.db2.gz OKQVZASKVPFISC-PMACEKPBSA-N 1 2 414.336 4.313 20 30 HIEDLO C[C@H]1CCC[C@H](OCCCCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000499944782 909050389 /nfs/dbraw/zinc/05/03/89/909050389.db2.gz IROBVVYSEKWXHV-URXFXBBRSA-N 1 2 411.590 4.358 20 30 HIEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000500091869 909568997 /nfs/dbraw/zinc/56/89/97/909568997.db2.gz MQFTVZMXDMDKJK-RBUKOAKNSA-N 1 2 419.312 4.058 20 30 HIEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000500091869 909569007 /nfs/dbraw/zinc/56/90/07/909569007.db2.gz MQFTVZMXDMDKJK-RBUKOAKNSA-N 1 2 419.312 4.058 20 30 HIEDLO N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000501179295 910346505 /nfs/dbraw/zinc/34/65/05/910346505.db2.gz WMLQXTDOFCOBEN-FQEVSTJZSA-N 1 2 406.486 4.424 20 30 HIEDLO N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000501179295 910346515 /nfs/dbraw/zinc/34/65/15/910346515.db2.gz WMLQXTDOFCOBEN-FQEVSTJZSA-N 1 2 406.486 4.424 20 30 HIEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(F)c1 ZINC000513139932 921579347 /nfs/dbraw/zinc/57/93/47/921579347.db2.gz ZRDXWOONFBMOKX-LJQANCHMSA-N 1 2 405.267 4.028 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)N[C@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000502494794 911495800 /nfs/dbraw/zinc/49/58/00/911495800.db2.gz KUXRSSYNBXCXPW-QHCPKHFHSA-N 1 2 414.534 4.010 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)N[C@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000502494794 911495824 /nfs/dbraw/zinc/49/58/24/911495824.db2.gz KUXRSSYNBXCXPW-QHCPKHFHSA-N 1 2 414.534 4.010 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CC2)cc1 ZINC000502547568 911553491 /nfs/dbraw/zinc/55/34/91/911553491.db2.gz CZSBBOVEPFEJKZ-UHFFFAOYSA-N 1 2 411.505 4.469 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CC2)cc1 ZINC000502547568 911553502 /nfs/dbraw/zinc/55/35/02/911553502.db2.gz CZSBBOVEPFEJKZ-UHFFFAOYSA-N 1 2 411.505 4.469 20 30 HIEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2=O)cc1 ZINC000502638886 911672785 /nfs/dbraw/zinc/67/27/85/911672785.db2.gz ZLFSCFZHRWBPSN-DNQXCXABSA-N 1 2 424.504 4.023 20 30 HIEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000513420540 921789160 /nfs/dbraw/zinc/78/91/60/921789160.db2.gz PKNDPXHTSMTKTH-IBGZPJMESA-N 1 2 417.509 4.290 20 30 HIEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000513420540 921789171 /nfs/dbraw/zinc/78/91/71/921789171.db2.gz PKNDPXHTSMTKTH-IBGZPJMESA-N 1 2 417.509 4.290 20 30 HIEDLO Cc1ccsc1CNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000513435027 921803910 /nfs/dbraw/zinc/80/39/10/921803910.db2.gz PIVCCDZTEWZOQY-UHFFFAOYSA-N 1 2 407.514 4.386 20 30 HIEDLO Cc1ccsc1CNC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000513435027 921803905 /nfs/dbraw/zinc/80/39/05/921803905.db2.gz PIVCCDZTEWZOQY-UHFFFAOYSA-N 1 2 407.514 4.386 20 30 HIEDLO N#Cc1ccc(CSCC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000507405336 916172683 /nfs/dbraw/zinc/17/26/83/916172683.db2.gz REHCJDLXSMTGQT-UHFFFAOYSA-N 1 2 424.957 4.370 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507817739 916609595 /nfs/dbraw/zinc/60/95/95/916609595.db2.gz GCRJPPPNVDOPMU-HNNXBMFYSA-N 1 2 417.431 4.447 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC000508333922 917137324 /nfs/dbraw/zinc/13/73/24/917137324.db2.gz OLAAJSAXFGXGRF-RBBKRZOGSA-N 1 2 405.542 4.206 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC000508333922 917137332 /nfs/dbraw/zinc/13/73/32/917137332.db2.gz OLAAJSAXFGXGRF-RBBKRZOGSA-N 1 2 405.542 4.206 20 30 HIEDLO N#CCCCCNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000508400375 917192525 /nfs/dbraw/zinc/19/25/25/917192525.db2.gz IVESWJOIHBCMAT-JOCHJYFZSA-N 1 2 410.949 4.450 20 30 HIEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000508665042 917430853 /nfs/dbraw/zinc/43/08/53/917430853.db2.gz VGUYSMKIVHXVBD-UHFFFAOYSA-N 1 2 418.375 4.027 20 30 HIEDLO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508744627 917502099 /nfs/dbraw/zinc/50/20/99/917502099.db2.gz CPEQSPIESPQQRX-FQEVSTJZSA-N 1 2 421.545 4.136 20 30 HIEDLO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000508845915 917597641 /nfs/dbraw/zinc/59/76/41/917597641.db2.gz DMDXOHIIQOLHQS-UHFFFAOYSA-N 1 2 420.561 4.047 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000509022732 917776563 /nfs/dbraw/zinc/77/65/63/917776563.db2.gz NHSHZKIDJWIAPK-SFHVURJKSA-N 1 2 419.504 4.191 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000509022732 917776569 /nfs/dbraw/zinc/77/65/69/917776569.db2.gz NHSHZKIDJWIAPK-SFHVURJKSA-N 1 2 419.504 4.191 20 30 HIEDLO C=CCc1ccc(OCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c(OC)c1 ZINC000509249718 917944265 /nfs/dbraw/zinc/94/42/65/917944265.db2.gz YSBHZSNMBWIPKQ-MRXNPFEDSA-N 1 2 415.559 4.130 20 30 HIEDLO C=CCc1ccc(OCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c(OC)c1 ZINC000509249718 917944277 /nfs/dbraw/zinc/94/42/77/917944277.db2.gz YSBHZSNMBWIPKQ-MRXNPFEDSA-N 1 2 415.559 4.130 20 30 HIEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000509618612 918266830 /nfs/dbraw/zinc/26/68/30/918266830.db2.gz DPBNUGSGUAPIRS-SFHVURJKSA-N 1 2 406.530 4.407 20 30 HIEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000510509553 918956904 /nfs/dbraw/zinc/95/69/04/918956904.db2.gz DWKIOYISKYIJLG-UHFFFAOYSA-N 1 2 400.482 4.247 20 30 HIEDLO C=CCOc1c(Br)cc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000510524783 918971662 /nfs/dbraw/zinc/97/16/62/918971662.db2.gz QNMKAFPRNDWOBY-OAHLLOKOSA-N 1 2 406.324 4.125 20 30 HIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000510827980 919308039 /nfs/dbraw/zinc/30/80/39/919308039.db2.gz XGKNVXOGFSOJFK-LJQANCHMSA-N 1 2 413.481 4.454 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000510847914 919334896 /nfs/dbraw/zinc/33/48/96/919334896.db2.gz FQZXSKMZCUUSCF-GOSISDBHSA-N 1 2 417.444 4.285 20 30 HIEDLO N#Cc1ccc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c(Cl)c1 ZINC000510953239 919487570 /nfs/dbraw/zinc/48/75/70/919487570.db2.gz SSAMEKMLUPJTCQ-UHFFFAOYSA-N 1 2 419.710 4.466 20 30 HIEDLO N#Cc1cc(Cl)ccc1CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510955442 919489014 /nfs/dbraw/zinc/48/90/14/919489014.db2.gz XTMMGDUWWPDLAO-UHFFFAOYSA-N 1 2 419.710 4.466 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC([C@@H](F)c3ccccc3F)CC2)C1=O ZINC000511110993 919723029 /nfs/dbraw/zinc/72/30/29/919723029.db2.gz WRDWWSSVANOUOK-RBUKOAKNSA-N 1 2 401.482 4.287 20 30 HIEDLO N#Cc1ccc(Cl)c(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000511185457 919805043 /nfs/dbraw/zinc/80/50/43/919805043.db2.gz OGJRZFVPYUOATQ-UHFFFAOYSA-N 1 2 404.861 4.100 20 30 HIEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CC[NH2+][C@@H](c4cccc(Cl)c4)C3)cc2)nc1 ZINC000513993349 922317731 /nfs/dbraw/zinc/31/77/31/922317731.db2.gz ALMVQOLCFNYIMG-OAQYLSRUSA-N 1 2 418.884 4.186 20 30 HIEDLO Cc1cc(C(=O)[C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)c(C)n1Cc1ccco1 ZINC000515703981 923287283 /nfs/dbraw/zinc/28/72/83/923287283.db2.gz HJMDIBATFLAMMA-HXUWFJFHSA-N 1 2 419.525 4.338 20 30 HIEDLO Cc1cc(C(=O)[C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)c(C)n1Cc1ccco1 ZINC000515703981 923287304 /nfs/dbraw/zinc/28/73/04/923287304.db2.gz HJMDIBATFLAMMA-HXUWFJFHSA-N 1 2 419.525 4.338 20 30 HIEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000519507797 928000128 /nfs/dbraw/zinc/00/01/28/928000128.db2.gz KTTSQFGONCPJJW-NRFANRHFSA-N 1 2 403.482 4.281 20 30 HIEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000519507797 928000142 /nfs/dbraw/zinc/00/01/42/928000142.db2.gz KTTSQFGONCPJJW-NRFANRHFSA-N 1 2 403.482 4.281 20 30 HIEDLO N#Cc1ccc(CC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)cc1 ZINC000521142115 929021121 /nfs/dbraw/zinc/02/11/21/929021121.db2.gz OOQAGEVQVRSQCT-UHFFFAOYSA-N 1 2 410.880 4.209 20 30 HIEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)c2cc(F)ccc2F)c1 ZINC000525688729 930405010 /nfs/dbraw/zinc/40/50/10/930405010.db2.gz JAHIZSMRHSTTMA-JOCHJYFZSA-N 1 2 412.461 4.119 20 30 HIEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1C(F)(F)F ZINC000525770221 930437915 /nfs/dbraw/zinc/43/79/15/930437915.db2.gz PJDORBKQFQDBDD-MRXNPFEDSA-N 1 2 416.447 4.165 20 30 HIEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1C(F)(F)F ZINC000525770220 930438078 /nfs/dbraw/zinc/43/80/78/930438078.db2.gz PJDORBKQFQDBDD-INIZCTEOSA-N 1 2 416.447 4.165 20 30 HIEDLO CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1cccs1 ZINC000531646471 931138026 /nfs/dbraw/zinc/13/80/26/931138026.db2.gz VAKXANUBXHYKKC-QFIPXVFZSA-N 1 2 411.571 4.367 20 30 HIEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532966401 931717305 /nfs/dbraw/zinc/71/73/05/931717305.db2.gz XKMJEGSEWJIDQN-UHFFFAOYSA-N 1 2 413.905 4.011 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2Cc3ccccc3C[C@@H]2C)c1C#N ZINC000533300553 931833058 /nfs/dbraw/zinc/83/30/58/931833058.db2.gz DJCZHJUDGWCHGJ-INIZCTEOSA-N 1 2 402.498 4.003 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2C)c1C#N ZINC000533300553 931833062 /nfs/dbraw/zinc/83/30/62/931833062.db2.gz DJCZHJUDGWCHGJ-INIZCTEOSA-N 1 2 402.498 4.003 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1C#N ZINC000533346872 931844479 /nfs/dbraw/zinc/84/44/79/931844479.db2.gz BTCYLEHFQWHJSQ-QFIPXVFZSA-N 1 2 417.513 4.097 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1C#N ZINC000533346872 931844480 /nfs/dbraw/zinc/84/44/80/931844480.db2.gz BTCYLEHFQWHJSQ-QFIPXVFZSA-N 1 2 417.513 4.097 20 30 HIEDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C2 ZINC000533409519 931861092 /nfs/dbraw/zinc/86/10/92/931861092.db2.gz YATBVYKJADQDJM-KRWDZBQOSA-N 1 2 409.555 4.476 20 30 HIEDLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C2 ZINC000533409519 931861093 /nfs/dbraw/zinc/86/10/93/931861093.db2.gz YATBVYKJADQDJM-KRWDZBQOSA-N 1 2 409.555 4.476 20 30 HIEDLO CCN(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1nc2ccccc2s1 ZINC000533424580 931864367 /nfs/dbraw/zinc/86/43/67/931864367.db2.gz KETAFLXBCFYKSM-UHFFFAOYSA-N 1 2 420.538 4.064 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000533484384 931881072 /nfs/dbraw/zinc/88/10/72/931881072.db2.gz JZLPFFHGINRHEY-IBGZPJMESA-N 1 2 422.598 4.478 20 30 HIEDLO N#Cc1cccc(COc2cccc(CNc3ccc[nH+]c3N3CCC(O)CC3)c2)c1 ZINC000535384550 933107083 /nfs/dbraw/zinc/10/70/83/933107083.db2.gz WUQQIYMHBCKVTE-UHFFFAOYSA-N 1 2 414.509 4.105 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884045 933464855 /nfs/dbraw/zinc/46/48/55/933464855.db2.gz AQCRLYGGONOFSS-FPOVZHCZSA-N 1 2 417.937 4.146 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535884045 933464858 /nfs/dbraw/zinc/46/48/58/933464858.db2.gz AQCRLYGGONOFSS-FPOVZHCZSA-N 1 2 417.937 4.146 20 30 HIEDLO C[C@@H](c1nnc(SCCCC2(C#N)CCOCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000537310897 933710861 /nfs/dbraw/zinc/71/08/61/933710861.db2.gz KWJYDLROWWUEPL-INIZCTEOSA-N 1 2 417.554 4.222 20 30 HIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000538164429 938532056 /nfs/dbraw/zinc/53/20/56/938532056.db2.gz XXFITBXNBXMQTK-CYBMUJFWSA-N 1 2 402.376 4.400 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539133231 938808665 /nfs/dbraw/zinc/80/86/65/938808665.db2.gz QUKMTRYVDFIGRR-PZJWPPBQSA-N 1 2 417.937 4.395 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539133231 938808667 /nfs/dbraw/zinc/80/86/67/938808667.db2.gz QUKMTRYVDFIGRR-PZJWPPBQSA-N 1 2 417.937 4.395 20 30 HIEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000539700515 938906288 /nfs/dbraw/zinc/90/62/88/938906288.db2.gz DFRJCHFUIZGIKS-UYAOXDASSA-N 1 2 400.885 4.008 20 30 HIEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000539700515 938906289 /nfs/dbraw/zinc/90/62/89/938906289.db2.gz DFRJCHFUIZGIKS-UYAOXDASSA-N 1 2 400.885 4.008 20 30 HIEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539701231 938906419 /nfs/dbraw/zinc/90/64/19/938906419.db2.gz MUXOSXKAQJFBSQ-HKUYNNGSSA-N 1 2 421.303 4.353 20 30 HIEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539701231 938906425 /nfs/dbraw/zinc/90/64/25/938906425.db2.gz MUXOSXKAQJFBSQ-HKUYNNGSSA-N 1 2 421.303 4.353 20 30 HIEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539701233 938907135 /nfs/dbraw/zinc/90/71/35/938907135.db2.gz MUXOSXKAQJFBSQ-MJGOQNOKSA-N 1 2 421.303 4.353 20 30 HIEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539701233 938907138 /nfs/dbraw/zinc/90/71/38/938907138.db2.gz MUXOSXKAQJFBSQ-MJGOQNOKSA-N 1 2 421.303 4.353 20 30 HIEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000540637295 939326243 /nfs/dbraw/zinc/32/62/43/939326243.db2.gz RWWIJTNMQYDHSA-NRFANRHFSA-N 1 2 415.497 4.339 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541116900 939465715 /nfs/dbraw/zinc/46/57/15/939465715.db2.gz NDLQSRHSMTWXEI-LPLGYCIKSA-N 1 2 416.447 4.171 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541116900 939465719 /nfs/dbraw/zinc/46/57/19/939465719.db2.gz NDLQSRHSMTWXEI-LPLGYCIKSA-N 1 2 416.447 4.171 20 30 HIEDLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542038044 939695386 /nfs/dbraw/zinc/69/53/86/939695386.db2.gz TURNOHRWKYWDRQ-UYAOXDASSA-N 1 2 413.525 4.397 20 30 HIEDLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542038044 939695389 /nfs/dbraw/zinc/69/53/89/939695389.db2.gz TURNOHRWKYWDRQ-UYAOXDASSA-N 1 2 413.525 4.397 20 30 HIEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000542556919 939843418 /nfs/dbraw/zinc/84/34/18/939843418.db2.gz LNDLDMAAVSROKO-WMLDXEAASA-N 1 2 401.532 4.094 20 30 HIEDLO C[NH+](C)[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1cccc(Cl)c1 ZINC000543000400 939893797 /nfs/dbraw/zinc/89/37/97/939893797.db2.gz GVEMDSAEWUTAQK-LJQANCHMSA-N 1 2 414.296 4.292 20 30 HIEDLO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543912334 940239933 /nfs/dbraw/zinc/23/99/33/940239933.db2.gz ZCWIBPDVJRNVAN-MSOLQXFVSA-N 1 2 415.962 4.006 20 30 HIEDLO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543912334 940239941 /nfs/dbraw/zinc/23/99/41/940239941.db2.gz ZCWIBPDVJRNVAN-MSOLQXFVSA-N 1 2 415.962 4.006 20 30 HIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)n2)C1 ZINC000544230724 940361684 /nfs/dbraw/zinc/36/16/84/940361684.db2.gz UZVBYEYASPWVPR-MRXNPFEDSA-N 1 2 409.559 4.443 20 30 HIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)n2)C1 ZINC000544230724 940361687 /nfs/dbraw/zinc/36/16/87/940361687.db2.gz UZVBYEYASPWVPR-MRXNPFEDSA-N 1 2 409.559 4.443 20 30 HIEDLO C[C@@H](c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1)[NH+]1CCOCC1 ZINC000544249932 940368078 /nfs/dbraw/zinc/36/80/78/940368078.db2.gz MWMHRGKIJTZYDE-SFHVURJKSA-N 1 2 404.514 4.148 20 30 HIEDLO Cc1ccc(C(=O)CCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000545361503 940565342 /nfs/dbraw/zinc/56/53/42/940565342.db2.gz CWXDTQSQOYHZNT-UHFFFAOYSA-N 1 2 417.553 4.344 20 30 HIEDLO Cc1ccc(C(=O)CCCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000545361503 940565343 /nfs/dbraw/zinc/56/53/43/940565343.db2.gz CWXDTQSQOYHZNT-UHFFFAOYSA-N 1 2 417.553 4.344 20 30 HIEDLO Cn1cc(C[N@@H+]2CCc3ccc(Br)cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000551747575 941537877 /nfs/dbraw/zinc/53/78/77/941537877.db2.gz BSTKKHDAFOPVRI-UHFFFAOYSA-N 1 2 407.315 4.280 20 30 HIEDLO Cn1cc(C[N@H+]2CCc3ccc(Br)cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000551747575 941537882 /nfs/dbraw/zinc/53/78/82/941537882.db2.gz BSTKKHDAFOPVRI-UHFFFAOYSA-N 1 2 407.315 4.280 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000554281653 942090107 /nfs/dbraw/zinc/09/01/07/942090107.db2.gz NCVQGXRKKIFZNS-ZWKOTPCHSA-N 1 2 414.596 4.404 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000554281653 942090116 /nfs/dbraw/zinc/09/01/16/942090116.db2.gz NCVQGXRKKIFZNS-ZWKOTPCHSA-N 1 2 414.596 4.404 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000554658480 942189692 /nfs/dbraw/zinc/18/96/92/942189692.db2.gz LLFPEYXJMNZLLC-QFIPXVFZSA-N 1 2 409.555 4.122 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000554658480 942189700 /nfs/dbraw/zinc/18/97/00/942189700.db2.gz LLFPEYXJMNZLLC-QFIPXVFZSA-N 1 2 409.555 4.122 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000556555462 942897908 /nfs/dbraw/zinc/89/79/08/942897908.db2.gz STKIAGVNHNWJNN-UHFFFAOYSA-N 1 2 417.488 4.103 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000556555462 942897913 /nfs/dbraw/zinc/89/79/13/942897913.db2.gz STKIAGVNHNWJNN-UHFFFAOYSA-N 1 2 417.488 4.103 20 30 HIEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000558966267 943774198 /nfs/dbraw/zinc/77/41/98/943774198.db2.gz RZXUBFMTDXJEME-UHFFFAOYSA-N 1 2 420.513 4.087 20 30 HIEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000559235580 943882774 /nfs/dbraw/zinc/88/27/74/943882774.db2.gz XZGWRXGYQHSNLW-HXUWFJFHSA-N 1 2 422.330 4.453 20 30 HIEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000559235580 943882776 /nfs/dbraw/zinc/88/27/76/943882776.db2.gz XZGWRXGYQHSNLW-HXUWFJFHSA-N 1 2 422.330 4.453 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000561173099 944497463 /nfs/dbraw/zinc/49/74/63/944497463.db2.gz VDPKGMJOOZUSKW-UTKZUKDTSA-N 1 2 409.555 4.123 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000561173099 944497471 /nfs/dbraw/zinc/49/74/71/944497471.db2.gz VDPKGMJOOZUSKW-UTKZUKDTSA-N 1 2 409.555 4.123 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000561173098 944498300 /nfs/dbraw/zinc/49/83/00/944498300.db2.gz VDPKGMJOOZUSKW-LAUBAEHRSA-N 1 2 409.555 4.123 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000561173098 944498307 /nfs/dbraw/zinc/49/83/07/944498307.db2.gz VDPKGMJOOZUSKW-LAUBAEHRSA-N 1 2 409.555 4.123 20 30 HIEDLO N#Cc1cc(Oc2ccc(NC(=O)N3CC[NH+](Cc4ccsc4)CC3)cc2)ccn1 ZINC000562104725 944941472 /nfs/dbraw/zinc/94/14/72/944941472.db2.gz FXFGIIONZHXAAS-UHFFFAOYSA-N 1 2 419.510 4.157 20 30 HIEDLO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000564312528 945511701 /nfs/dbraw/zinc/51/17/01/945511701.db2.gz NHAQDFNNQCLARS-NSHDSACASA-N 1 2 416.337 4.005 20 30 HIEDLO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000564312528 945511704 /nfs/dbraw/zinc/51/17/04/945511704.db2.gz NHAQDFNNQCLARS-NSHDSACASA-N 1 2 416.337 4.005 20 30 HIEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)n2)c1 ZINC000569416473 946872758 /nfs/dbraw/zinc/87/27/58/946872758.db2.gz WOLYUHBMTYLDMK-LBPRGKRZSA-N 1 2 402.376 4.486 20 30 HIEDLO COc1c(Br)cc(C[NH+]2CCC(CC#N)CC2)cc1Br ZINC000571869207 947806484 /nfs/dbraw/zinc/80/64/84/947806484.db2.gz RPMAXRLHDKXMTH-UHFFFAOYSA-N 1 2 402.130 4.346 20 30 HIEDLO CC(C)C[N@H+](Cc1ncc(I)s1)Cc1ccc(C#N)cc1 ZINC000574676254 948503105 /nfs/dbraw/zinc/50/31/05/948503105.db2.gz HCJKWTJUDDVIHQ-UHFFFAOYSA-N 1 2 411.312 4.278 20 30 HIEDLO CC(C)C[N@@H+](Cc1ncc(I)s1)Cc1ccc(C#N)cc1 ZINC000574676254 948503110 /nfs/dbraw/zinc/50/31/10/948503110.db2.gz HCJKWTJUDDVIHQ-UHFFFAOYSA-N 1 2 411.312 4.278 20 30 HIEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436181720 861482876 /nfs/dbraw/zinc/48/28/76/861482876.db2.gz FKYHFJWDDOTQEQ-UHFFFAOYSA-N 1 2 416.529 4.185 20 30 HIEDLO C[N@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1ccc2c(c1)OCCO2 ZINC000022240964 846549069 /nfs/dbraw/zinc/54/90/69/846549069.db2.gz FBEGKLVJOJALGP-UHFFFAOYSA-N 1 2 413.474 4.440 20 30 HIEDLO C[N@@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1ccc2c(c1)OCCO2 ZINC000022240964 846549075 /nfs/dbraw/zinc/54/90/75/846549075.db2.gz FBEGKLVJOJALGP-UHFFFAOYSA-N 1 2 413.474 4.440 20 30 HIEDLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781577 846620557 /nfs/dbraw/zinc/62/05/57/846620557.db2.gz HKUGMTGNZMCMJW-UXHICEINSA-N 1 2 404.558 4.217 20 30 HIEDLO N#Cc1ccc(Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000029003430 847491104 /nfs/dbraw/zinc/49/11/04/847491104.db2.gz XUGUCXMWFTXSRH-UHFFFAOYSA-N 1 2 420.498 4.184 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3ccccc3)C2)sc2c1CCCCC2 ZINC000029533776 847575137 /nfs/dbraw/zinc/57/51/37/847575137.db2.gz PGJRSWJAFHRCBO-FQEVSTJZSA-N 1 2 409.555 4.291 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3ccccc3)C2)sc2c1CCCCC2 ZINC000029533776 847575145 /nfs/dbraw/zinc/57/51/45/847575145.db2.gz PGJRSWJAFHRCBO-FQEVSTJZSA-N 1 2 409.555 4.291 20 30 HIEDLO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031890182 847961411 /nfs/dbraw/zinc/96/14/11/847961411.db2.gz PFIBTAHJWGKECM-KXBFYZLASA-N 1 2 415.896 4.071 20 30 HIEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CSCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000046343403 848827874 /nfs/dbraw/zinc/82/78/74/848827874.db2.gz INRODZGXGIVXOQ-ROUUACIJSA-N 1 2 409.555 4.039 20 30 HIEDLO CC(C)c1ccc([C@H](CNC(=O)CSCC#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000047000189 848970529 /nfs/dbraw/zinc/97/05/29/848970529.db2.gz RQMSLADBWOBBDP-FQEVSTJZSA-N 1 2 413.612 4.344 20 30 HIEDLO CC(C)c1ccc([C@H](CNC(=O)CSCC#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000047000189 848970539 /nfs/dbraw/zinc/97/05/39/848970539.db2.gz RQMSLADBWOBBDP-FQEVSTJZSA-N 1 2 413.612 4.344 20 30 HIEDLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)cc1C ZINC000053016413 849655114 /nfs/dbraw/zinc/65/51/14/849655114.db2.gz CXNONESSMXNWCT-UHFFFAOYSA-N 1 2 409.555 4.401 20 30 HIEDLO N#Cc1cc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1OCC(F)(F)F ZINC000056646456 850432147 /nfs/dbraw/zinc/43/21/47/850432147.db2.gz FCHXSOVZHIZILH-UHFFFAOYSA-N 1 2 415.375 4.007 20 30 HIEDLO N#Cc1ccccc1COc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000065737962 852240028 /nfs/dbraw/zinc/24/00/28/852240028.db2.gz VYLJBEWHXFAJIV-UHFFFAOYSA-N 1 2 408.461 4.253 20 30 HIEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097263029 852594712 /nfs/dbraw/zinc/59/47/12/852594712.db2.gz IOTPGCKPDRNCLW-UHFFFAOYSA-N 1 2 418.291 4.057 20 30 HIEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3cc(-c4cccs4)on3)c2)n1 ZINC000110180134 853070245 /nfs/dbraw/zinc/07/02/45/853070245.db2.gz JIVLHIHRHRXZOU-UHFFFAOYSA-N 1 2 407.499 4.102 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1cccc(C#N)c1 ZINC000112571228 853232504 /nfs/dbraw/zinc/23/25/04/853232504.db2.gz LHHZXCXJJSOBAU-SFHVURJKSA-N 1 2 404.539 4.437 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1cccc(C#N)c1 ZINC000112571228 853232513 /nfs/dbraw/zinc/23/25/13/853232513.db2.gz LHHZXCXJJSOBAU-SFHVURJKSA-N 1 2 404.539 4.437 20 30 HIEDLO Cc1nc(SCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(C#N)c(C)c1C ZINC000116624019 853320821 /nfs/dbraw/zinc/32/08/21/853320821.db2.gz LYEBYQZYYJRYKZ-UHFFFAOYSA-N 1 2 411.918 4.448 20 30 HIEDLO N#Cc1ccnc(NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000301632080 854434016 /nfs/dbraw/zinc/43/40/16/854434016.db2.gz CXWBJNDTSXEKHU-UHFFFAOYSA-N 1 2 406.273 4.245 20 30 HIEDLO COc1ccc([C@H](CNc2ccc(C(F)(F)F)c(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000301726885 854453371 /nfs/dbraw/zinc/45/33/71/854453371.db2.gz AUQCGOWTFPTGFE-FQEVSTJZSA-N 1 2 405.420 4.071 20 30 HIEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000302179667 854544022 /nfs/dbraw/zinc/54/40/22/854544022.db2.gz DMZQDIXUOWIVAQ-CQSZACIVSA-N 1 2 415.291 4.112 20 30 HIEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000410148164 855838462 /nfs/dbraw/zinc/83/84/62/855838462.db2.gz DTHMDPUNEXFPTH-MRXNPFEDSA-N 1 2 416.447 4.165 20 30 HIEDLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000428783798 857336551 /nfs/dbraw/zinc/33/65/51/857336551.db2.gz KHUWMAYKSXDQBJ-DYVFJYSZSA-N 1 2 423.460 4.429 20 30 HIEDLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000428783798 857336556 /nfs/dbraw/zinc/33/65/56/857336556.db2.gz KHUWMAYKSXDQBJ-DYVFJYSZSA-N 1 2 423.460 4.429 20 30 HIEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)cc1OCCCO ZINC000428950643 857432013 /nfs/dbraw/zinc/43/20/13/857432013.db2.gz GESUTPISZUSUPU-ZDUSSCGKSA-N 1 2 407.283 4.072 20 30 HIEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000429487992 857692272 /nfs/dbraw/zinc/69/22/72/857692272.db2.gz FSXRCYFLKCGBOD-UHFFFAOYSA-N 1 2 404.445 4.295 20 30 HIEDLO COc1cc(C[N@H+](C)Cc2cn3c(n2)CCCC3)ccc1OCc1cccc(C#N)c1 ZINC000429537336 857729123 /nfs/dbraw/zinc/72/91/23/857729123.db2.gz MFWSCOMNVNLFNP-UHFFFAOYSA-N 1 2 416.525 4.311 20 30 HIEDLO COc1cc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)ccc1OCc1cccc(C#N)c1 ZINC000429537336 857729128 /nfs/dbraw/zinc/72/91/28/857729128.db2.gz MFWSCOMNVNLFNP-UHFFFAOYSA-N 1 2 416.525 4.311 20 30 HIEDLO COc1cc(CN(C)Cc2cn3c([nH+]2)CCCC3)ccc1OCc1cccc(C#N)c1 ZINC000429537336 857729134 /nfs/dbraw/zinc/72/91/34/857729134.db2.gz MFWSCOMNVNLFNP-UHFFFAOYSA-N 1 2 416.525 4.311 20 30 HIEDLO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)n1 ZINC000429598877 857780750 /nfs/dbraw/zinc/78/07/50/857780750.db2.gz QXAJDGVJWFYWBL-UHFFFAOYSA-N 1 2 421.469 4.172 20 30 HIEDLO N#CCCC[C@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccccc1 ZINC000433013596 859478540 /nfs/dbraw/zinc/47/85/40/859478540.db2.gz YHIJIVZRJPYXIF-IBGZPJMESA-N 1 2 423.517 4.132 20 30 HIEDLO CCOc1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc(Br)c1OC ZINC000434983036 860585327 /nfs/dbraw/zinc/58/53/27/860585327.db2.gz OXKCYEJSRLKYBK-UHFFFAOYSA-N 1 2 407.283 4.499 20 30 HIEDLO CCOc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc(Br)c1OC ZINC000434983036 860585331 /nfs/dbraw/zinc/58/53/31/860585331.db2.gz OXKCYEJSRLKYBK-UHFFFAOYSA-N 1 2 407.283 4.499 20 30 HIEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cc3C#N)CC2)cs1 ZINC000467789008 881611916 /nfs/dbraw/zinc/61/19/16/881611916.db2.gz OVFBEGDRDMXVQM-CQSZACIVSA-N 1 2 424.492 4.453 20 30 HIEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cc3C#N)CC2)cs1 ZINC000467789008 881611924 /nfs/dbraw/zinc/61/19/24/881611924.db2.gz OVFBEGDRDMXVQM-CQSZACIVSA-N 1 2 424.492 4.453 20 30 HIEDLO N#CCC[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000438865644 864359645 /nfs/dbraw/zinc/35/96/45/864359645.db2.gz RYAWDYFVPPVMHR-AVRDEDQJSA-N 1 2 412.484 4.273 20 30 HIEDLO N#CCC[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000438865644 864359654 /nfs/dbraw/zinc/35/96/54/864359654.db2.gz RYAWDYFVPPVMHR-AVRDEDQJSA-N 1 2 412.484 4.273 20 30 HIEDLO N#Cc1ccc(-c2nnc(C[N@@H+](CCc3ccccn3)Cc3ccc(F)cc3)o2)cc1 ZINC000439946629 865241184 /nfs/dbraw/zinc/24/11/84/865241184.db2.gz CCOWQELOZPAMLZ-UHFFFAOYSA-N 1 2 413.456 4.387 20 30 HIEDLO N#Cc1ccc(-c2nnc(C[N@H+](CCc3ccccn3)Cc3ccc(F)cc3)o2)cc1 ZINC000439946629 865241202 /nfs/dbraw/zinc/24/12/02/865241202.db2.gz CCOWQELOZPAMLZ-UHFFFAOYSA-N 1 2 413.456 4.387 20 30 HIEDLO CC(C)(CC(=O)c1ccccc1)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000442420579 867390647 /nfs/dbraw/zinc/39/06/47/867390647.db2.gz CCEWDOVLYWGCCZ-UHFFFAOYSA-N 1 2 417.553 4.282 20 30 HIEDLO CC(C)(CC(=O)c1ccccc1)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000442420579 867390664 /nfs/dbraw/zinc/39/06/64/867390664.db2.gz CCEWDOVLYWGCCZ-UHFFFAOYSA-N 1 2 417.553 4.282 20 30 HIEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nc2sc(-c3ccccc3)cc2c1=O ZINC000443473876 868060968 /nfs/dbraw/zinc/06/09/68/868060968.db2.gz GRQDJFBEOXJXIT-UHFFFAOYSA-N 1 2 406.536 4.581 20 30 HIEDLO N#Cc1cccc(-c2cc(C(=O)N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)on2)c1 ZINC000468251269 882159517 /nfs/dbraw/zinc/15/95/17/882159517.db2.gz OJKHPDKMLPHMTG-UHFFFAOYSA-N 1 2 420.900 4.215 20 30 HIEDLO N#Cc1cccc(-c2cc(C(=O)N3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)on2)c1 ZINC000468251269 882159529 /nfs/dbraw/zinc/15/95/29/882159529.db2.gz OJKHPDKMLPHMTG-UHFFFAOYSA-N 1 2 420.900 4.215 20 30 HIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443644989 868233112 /nfs/dbraw/zinc/23/31/12/868233112.db2.gz GZYPPCLFZKMTJE-AWEZNQCLSA-N 1 2 412.852 4.310 20 30 HIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443644989 868233129 /nfs/dbraw/zinc/23/31/29/868233129.db2.gz GZYPPCLFZKMTJE-AWEZNQCLSA-N 1 2 412.852 4.310 20 30 HIEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444682511 868956187 /nfs/dbraw/zinc/95/61/87/868956187.db2.gz AFAPQVRETKCHIF-HSZRJFAPSA-N 1 2 400.526 4.300 20 30 HIEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444682511 868956194 /nfs/dbraw/zinc/95/61/94/868956194.db2.gz AFAPQVRETKCHIF-HSZRJFAPSA-N 1 2 400.526 4.300 20 30 HIEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000447658877 871590389 /nfs/dbraw/zinc/59/03/89/871590389.db2.gz KWKDVQQDBNENNW-UHFFFAOYSA-N 1 2 423.582 4.033 20 30 HIEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000447658877 871590415 /nfs/dbraw/zinc/59/04/15/871590415.db2.gz KWKDVQQDBNENNW-UHFFFAOYSA-N 1 2 423.582 4.033 20 30 HIEDLO O=c1[nH]c2ccccc2n1C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000448147907 872023492 /nfs/dbraw/zinc/02/34/92/872023492.db2.gz RRCQDXMTHZZKEU-UHFFFAOYSA-N 1 2 415.415 4.329 20 30 HIEDLO COc1cccc([C@@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)c2ccccc2Cl)c1 ZINC000462233659 875344876 /nfs/dbraw/zinc/34/48/76/875344876.db2.gz FACLWBWICGYZDP-XMMPIXPASA-N 1 2 419.912 4.216 20 30 HIEDLO COc1cccc([C@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)c2ccccc2Cl)c1 ZINC000462233658 875345931 /nfs/dbraw/zinc/34/59/31/875345931.db2.gz FACLWBWICGYZDP-DEOSSOPVSA-N 1 2 419.912 4.216 20 30 HIEDLO COc1cccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccccc2Cl)c1 ZINC000462236326 875349003 /nfs/dbraw/zinc/34/90/03/875349003.db2.gz LLLOVBMAKXEBDA-JOCHJYFZSA-N 1 2 411.933 4.370 20 30 HIEDLO COc1cc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)ccc1C#N ZINC000463693682 876814471 /nfs/dbraw/zinc/81/44/71/876814471.db2.gz SDYSNDUOQVEAEH-UHFFFAOYSA-N 1 2 401.470 4.088 20 30 HIEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cn2c1 ZINC000464937363 878270461 /nfs/dbraw/zinc/27/04/61/878270461.db2.gz KFVNBGSNSWFLHL-LEWJYISDSA-N 1 2 404.539 4.174 20 30 HIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000467191254 880918692 /nfs/dbraw/zinc/91/86/92/880918692.db2.gz LIVVAOCDXHRFCH-IBGZPJMESA-N 1 2 401.514 4.128 20 30 HIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000467191254 880918698 /nfs/dbraw/zinc/91/86/98/880918698.db2.gz LIVVAOCDXHRFCH-IBGZPJMESA-N 1 2 401.514 4.128 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(OC(C)(C)C)CC2)c1C#N ZINC000469126335 883222288 /nfs/dbraw/zinc/22/22/88/883222288.db2.gz YWMDCNYFOFEDFV-UHFFFAOYSA-N 1 2 408.546 4.184 20 30 HIEDLO C[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000469381741 883518187 /nfs/dbraw/zinc/51/81/87/883518187.db2.gz QEJGPGDEXDTFDT-MBSDFSHPSA-N 1 2 400.482 4.057 20 30 HIEDLO C[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000469384875 883528026 /nfs/dbraw/zinc/52/80/26/883528026.db2.gz XJTFKNYOKFQESS-MBSDFSHPSA-N 1 2 400.482 4.057 20 30 HIEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000469435297 883620963 /nfs/dbraw/zinc/62/09/63/883620963.db2.gz ZZJKJFYQPHVECR-IBGZPJMESA-N 1 2 403.413 4.178 20 30 HIEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000503767177 912818719 /nfs/dbraw/zinc/81/87/19/912818719.db2.gz VNWYUDNEIJPDGW-UHFFFAOYSA-N 1 2 413.886 4.011 20 30 HIEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000470854305 885349852 /nfs/dbraw/zinc/34/98/52/885349852.db2.gz KAWZMZBXIJKCCP-UHFFFAOYSA-N 1 2 413.481 4.016 20 30 HIEDLO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)cc1 ZINC000471179456 885744732 /nfs/dbraw/zinc/74/47/32/885744732.db2.gz XHHCMSJJPJZTIB-WMZOPIPTSA-N 1 2 400.523 4.283 20 30 HIEDLO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)cc1 ZINC000471179456 885744744 /nfs/dbraw/zinc/74/47/44/885744744.db2.gz XHHCMSJJPJZTIB-WMZOPIPTSA-N 1 2 400.523 4.283 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000471942932 886743008 /nfs/dbraw/zinc/74/30/08/886743008.db2.gz LTBNYTAUBUPNCL-PZJWPPBQSA-N 1 2 414.456 4.191 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000471942932 886743015 /nfs/dbraw/zinc/74/30/15/886743015.db2.gz LTBNYTAUBUPNCL-PZJWPPBQSA-N 1 2 414.456 4.191 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000472309688 887137197 /nfs/dbraw/zinc/13/71/97/887137197.db2.gz DPCFRAKIRAHIRA-QAPCUYQASA-N 1 2 422.382 4.005 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000472309688 887137200 /nfs/dbraw/zinc/13/72/00/887137200.db2.gz DPCFRAKIRAHIRA-QAPCUYQASA-N 1 2 422.382 4.005 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473173370 887950587 /nfs/dbraw/zinc/95/05/87/887950587.db2.gz WEDBQOQVYPOMEK-FYSMJZIKSA-N 1 2 421.566 4.347 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473173370 887950594 /nfs/dbraw/zinc/95/05/94/887950594.db2.gz WEDBQOQVYPOMEK-FYSMJZIKSA-N 1 2 421.566 4.347 20 30 HIEDLO Cn1cc(-c2ncc(C[N@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cn2)cn1 ZINC000474151269 888980616 /nfs/dbraw/zinc/98/06/16/888980616.db2.gz DROACMPKBFPZPJ-UHFFFAOYSA-N 1 2 412.472 4.090 20 30 HIEDLO Cn1cc(-c2ncc(C[N@@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cn2)cn1 ZINC000474151269 888980633 /nfs/dbraw/zinc/98/06/33/888980633.db2.gz DROACMPKBFPZPJ-UHFFFAOYSA-N 1 2 412.472 4.090 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474153878 888986742 /nfs/dbraw/zinc/98/67/42/888986742.db2.gz MLGHWKAMOBGLNB-LEWJYISDSA-N 1 2 411.908 4.334 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474153878 888986776 /nfs/dbraw/zinc/98/67/76/888986776.db2.gz MLGHWKAMOBGLNB-LEWJYISDSA-N 1 2 411.908 4.334 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C#N ZINC000504729807 913465833 /nfs/dbraw/zinc/46/58/33/913465833.db2.gz GUGSEFIACVWFFH-KRWDZBQOSA-N 1 2 407.518 4.290 20 30 HIEDLO N#CC[C@@H](CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccccc1 ZINC000475655477 890601174 /nfs/dbraw/zinc/60/11/74/890601174.db2.gz MAJWFWNIHUGWPB-FQEVSTJZSA-N 1 2 412.497 4.349 20 30 HIEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000476503976 891416988 /nfs/dbraw/zinc/41/69/88/891416988.db2.gz IQPYSTDJCOVSMA-UHFFFAOYSA-N 1 2 413.886 4.011 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000477075746 892010762 /nfs/dbraw/zinc/01/07/62/892010762.db2.gz MAYSNPCZNKIPIV-OQRWROFFSA-N 1 2 402.585 4.334 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000477075746 892010781 /nfs/dbraw/zinc/01/07/81/892010781.db2.gz MAYSNPCZNKIPIV-OQRWROFFSA-N 1 2 402.585 4.334 20 30 HIEDLO N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000477167083 892088429 /nfs/dbraw/zinc/08/84/29/892088429.db2.gz SAKFNBDDVUGZHJ-UHFFFAOYSA-N 1 2 416.550 4.356 20 30 HIEDLO Cc1nc([C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)oc1-c1ccc(Cl)cc1 ZINC000477172224 892092627 /nfs/dbraw/zinc/09/26/27/892092627.db2.gz TTWNIBSUMHLNCR-MRXNPFEDSA-N 1 2 407.905 4.453 20 30 HIEDLO CSc1ccc([C@@H](CNC(=O)c2cc(C#N)c[nH]2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000479510597 894824967 /nfs/dbraw/zinc/82/49/67/894824967.db2.gz JNZIRCLFRIVNQL-HXUWFJFHSA-N 1 2 422.579 4.199 20 30 HIEDLO CSc1ccc([C@@H](CNC(=O)c2cc(C#N)c[nH]2)[N@H+]2CCc3sccc3C2)cc1 ZINC000479510597 894824973 /nfs/dbraw/zinc/82/49/73/894824973.db2.gz JNZIRCLFRIVNQL-HXUWFJFHSA-N 1 2 422.579 4.199 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1C#N ZINC000481730994 897125568 /nfs/dbraw/zinc/12/55/68/897125568.db2.gz PDUHFXWNBLCZTF-UHFFFAOYSA-N 1 2 414.509 4.104 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)c1C#N ZINC000481730994 897125577 /nfs/dbraw/zinc/12/55/77/897125577.db2.gz PDUHFXWNBLCZTF-UHFFFAOYSA-N 1 2 414.509 4.104 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1Cl ZINC000505566246 914270923 /nfs/dbraw/zinc/27/09/23/914270923.db2.gz OEVORINQGFCXCY-HXUWFJFHSA-N 1 2 418.884 4.186 20 30 HIEDLO N#Cc1ccc(Br)c(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000483088752 898774024 /nfs/dbraw/zinc/77/40/24/898774024.db2.gz LQLGTKPVUBGQSE-HNNXBMFYSA-N 1 2 415.209 4.043 20 30 HIEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000483279643 898916837 /nfs/dbraw/zinc/91/68/37/898916837.db2.gz RMFAFBUTNMCTHN-KRWDZBQOSA-N 1 2 418.472 4.318 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000484350948 899900724 /nfs/dbraw/zinc/90/07/24/899900724.db2.gz HFQIXHLCQACOTO-GOSISDBHSA-N 1 2 411.468 4.242 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000484350948 899900730 /nfs/dbraw/zinc/90/07/30/899900730.db2.gz HFQIXHLCQACOTO-GOSISDBHSA-N 1 2 411.468 4.242 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2Cl)c1 ZINC000484894060 900276962 /nfs/dbraw/zinc/27/69/62/900276962.db2.gz OIHDSSBNCDMKQC-QGZVFWFLSA-N 1 2 406.873 4.188 20 30 HIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)cc1 ZINC000485298053 900576460 /nfs/dbraw/zinc/57/64/60/900576460.db2.gz AJJONWJXWXJDAS-KKSFZXQISA-N 1 2 415.497 4.017 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCC(C(F)F)CC2)c1C#N ZINC000486138579 901325920 /nfs/dbraw/zinc/32/59/20/901325920.db2.gz RCHDZWLWKIPASJ-UHFFFAOYSA-N 1 2 404.436 4.021 20 30 HIEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000488164927 902656649 /nfs/dbraw/zinc/65/66/49/902656649.db2.gz RHWYPIORJVFFLP-AWEZNQCLSA-N 1 2 414.307 4.122 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(-c4ccco4)cc3F)CC2)cc1 ZINC000490513256 904062943 /nfs/dbraw/zinc/06/29/43/904062943.db2.gz JZMYCJGFSCOAHL-UHFFFAOYSA-N 1 2 404.445 4.307 20 30 HIEDLO CS(=O)(=O)N1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)Cc2ccccc21 ZINC000490668135 904164690 /nfs/dbraw/zinc/16/46/90/904164690.db2.gz FZEJPKPIQQZXGF-UHFFFAOYSA-N 1 2 417.534 4.007 20 30 HIEDLO CS(=O)(=O)N1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)Cc2ccccc21 ZINC000490668135 904164693 /nfs/dbraw/zinc/16/46/93/904164693.db2.gz FZEJPKPIQQZXGF-UHFFFAOYSA-N 1 2 417.534 4.007 20 30 HIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000491302524 904525785 /nfs/dbraw/zinc/52/57/85/904525785.db2.gz BZMLSQXITVCSBY-IBGZPJMESA-N 1 2 409.511 4.343 20 30 HIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000491302524 904525790 /nfs/dbraw/zinc/52/57/90/904525790.db2.gz BZMLSQXITVCSBY-IBGZPJMESA-N 1 2 409.511 4.343 20 30 HIEDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000494770559 905967262 /nfs/dbraw/zinc/96/72/62/905967262.db2.gz OHJRESDTONUQMQ-CQSZACIVSA-N 1 2 421.482 4.049 20 30 HIEDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000494770559 905967274 /nfs/dbraw/zinc/96/72/74/905967274.db2.gz OHJRESDTONUQMQ-CQSZACIVSA-N 1 2 421.482 4.049 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000512542148 921224716 /nfs/dbraw/zinc/22/47/16/921224716.db2.gz LLUBEAYYOFQOEF-LJQANCHMSA-N 1 2 411.525 4.317 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000512542148 921224723 /nfs/dbraw/zinc/22/47/23/921224723.db2.gz LLUBEAYYOFQOEF-LJQANCHMSA-N 1 2 411.525 4.317 20 30 HIEDLO N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000512660236 921278495 /nfs/dbraw/zinc/27/84/95/921278495.db2.gz FEQCKJHDOGFNSN-FQEVSTJZSA-N 1 2 414.534 4.254 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c(F)c1 ZINC000512824283 921327939 /nfs/dbraw/zinc/32/79/39/921327939.db2.gz QFQKKVVOGLLTRZ-UHFFFAOYSA-N 1 2 421.394 4.198 20 30 HIEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000500091872 909570773 /nfs/dbraw/zinc/57/07/73/909570773.db2.gz MQFTVZMXDMDKJK-RTBURBONSA-N 1 2 419.312 4.058 20 30 HIEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000500091872 909570793 /nfs/dbraw/zinc/57/07/93/909570793.db2.gz MQFTVZMXDMDKJK-RTBURBONSA-N 1 2 419.312 4.058 20 30 HIEDLO CSc1ccc([C@H](CNC(=O)c2ccc(C#N)[nH]2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000501758993 910815172 /nfs/dbraw/zinc/81/51/72/910815172.db2.gz LWILZSDOESMTRI-FQEVSTJZSA-N 1 2 422.579 4.199 20 30 HIEDLO CSc1ccc([C@H](CNC(=O)c2ccc(C#N)[nH]2)[N@H+]2CCc3sccc3C2)cc1 ZINC000501758993 910815178 /nfs/dbraw/zinc/81/51/78/910815178.db2.gz LWILZSDOESMTRI-FQEVSTJZSA-N 1 2 422.579 4.199 20 30 HIEDLO CCOc1ccc(-c2cn(C3C[NH+](Cc4cccc(OCCCC#N)c4)C3)nn2)cc1 ZINC000501776291 910830881 /nfs/dbraw/zinc/83/08/81/910830881.db2.gz XWBFJNAVVRTBGP-UHFFFAOYSA-N 1 2 417.513 4.083 20 30 HIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502242617 911197515 /nfs/dbraw/zinc/19/75/15/911197515.db2.gz OMHHIVPTGKJZBQ-SFHVURJKSA-N 1 2 407.518 4.290 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)c2c(F)cncc2F)c1C#N ZINC000513258728 921662980 /nfs/dbraw/zinc/66/29/80/921662980.db2.gz YIEAJGKRFHWMOH-CQSZACIVSA-N 1 2 415.488 4.444 20 30 HIEDLO N#CCCN(C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000502505021 911508377 /nfs/dbraw/zinc/50/83/77/911508377.db2.gz AOSAZBBHZSZABC-UHFFFAOYSA-N 1 2 404.901 4.248 20 30 HIEDLO N#CCCN(C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000502505021 911508406 /nfs/dbraw/zinc/50/84/06/911508406.db2.gz AOSAZBBHZSZABC-UHFFFAOYSA-N 1 2 404.901 4.248 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCc3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC000502529834 911531966 /nfs/dbraw/zinc/53/19/66/911531966.db2.gz POGLABJBHPSHPE-UHFFFAOYSA-N 1 2 417.406 4.122 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC000502529834 911531990 /nfs/dbraw/zinc/53/19/90/911531990.db2.gz POGLABJBHPSHPE-UHFFFAOYSA-N 1 2 417.406 4.122 20 30 HIEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)ccc1Cl ZINC000507274142 916037022 /nfs/dbraw/zinc/03/70/22/916037022.db2.gz NBQHCUVXEANOJI-JOCHJYFZSA-N 1 2 411.933 4.141 20 30 HIEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)ccc1Cl ZINC000507274142 916037040 /nfs/dbraw/zinc/03/70/40/916037040.db2.gz NBQHCUVXEANOJI-JOCHJYFZSA-N 1 2 411.933 4.141 20 30 HIEDLO COc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1OCCCC#N ZINC000507444910 916215460 /nfs/dbraw/zinc/21/54/60/916215460.db2.gz YJKSASGMWLINPD-UHFFFAOYSA-N 1 2 420.513 4.437 20 30 HIEDLO COc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1OCCCC#N ZINC000507444910 916215481 /nfs/dbraw/zinc/21/54/81/916215481.db2.gz YJKSASGMWLINPD-UHFFFAOYSA-N 1 2 420.513 4.437 20 30 HIEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507845740 916659829 /nfs/dbraw/zinc/65/98/29/916659829.db2.gz CQPCKIXILZAQOR-CQSZACIVSA-N 1 2 424.501 4.177 20 30 HIEDLO Cc1sc2nc([C@@H](C)[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)nc(N)c2c1C ZINC000507858283 916685535 /nfs/dbraw/zinc/68/55/35/916685535.db2.gz CTKNLBDVSDJSAS-CQSZACIVSA-N 1 2 407.543 4.366 20 30 HIEDLO N#Cc1ccc(CNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000508183586 917004894 /nfs/dbraw/zinc/00/48/94/917004894.db2.gz YWBNRRPLDHBPIM-UHFFFAOYSA-N 1 2 421.504 4.469 20 30 HIEDLO COCC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(C#N)cc1 ZINC000508567502 917341423 /nfs/dbraw/zinc/34/14/23/917341423.db2.gz HTMGTWKNCRWDJI-UHFFFAOYSA-N 1 2 408.483 4.239 20 30 HIEDLO COCC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(C#N)cc1 ZINC000508567502 917341433 /nfs/dbraw/zinc/34/14/33/917341433.db2.gz HTMGTWKNCRWDJI-UHFFFAOYSA-N 1 2 408.483 4.239 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000509056677 917806328 /nfs/dbraw/zinc/80/63/28/917806328.db2.gz OYLRKDKDYVBYDA-GOSISDBHSA-N 1 2 417.513 4.001 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000509056677 917806331 /nfs/dbraw/zinc/80/63/31/917806331.db2.gz OYLRKDKDYVBYDA-GOSISDBHSA-N 1 2 417.513 4.001 20 30 HIEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000510321481 918829442 /nfs/dbraw/zinc/82/94/42/918829442.db2.gz HSEHWEBERYEJQK-UHFFFAOYSA-N 1 2 400.360 4.246 20 30 HIEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000511218893 919828495 /nfs/dbraw/zinc/82/84/95/919828495.db2.gz XWELOVWLBBUPBG-UHFFFAOYSA-N 1 2 400.309 4.271 20 30 HIEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000511218893 919828497 /nfs/dbraw/zinc/82/84/97/919828497.db2.gz XWELOVWLBBUPBG-UHFFFAOYSA-N 1 2 400.309 4.271 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cccc(C#N)c2C)cc1 ZINC000512316864 921066239 /nfs/dbraw/zinc/06/62/39/921066239.db2.gz PSUVNWWZMXNURA-UHFFFAOYSA-N 1 2 402.498 4.195 20 30 HIEDLO CCc1ccc(CN2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)s1 ZINC000514089136 922412340 /nfs/dbraw/zinc/41/23/40/922412340.db2.gz OUMJCALLRGIUQI-UHFFFAOYSA-N 1 2 419.598 4.405 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(O)ccc3Br)CC2)c(F)c1 ZINC000514973714 922861502 /nfs/dbraw/zinc/86/15/02/922861502.db2.gz YPUHSHWJSUTEGJ-UHFFFAOYSA-N 1 2 405.267 4.209 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c(C(F)(F)F)c1 ZINC000515334592 923058550 /nfs/dbraw/zinc/05/85/50/923058550.db2.gz LGGZKNAYGQBMIE-UHFFFAOYSA-N 1 2 405.395 4.064 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c(C(F)(F)F)c1 ZINC000515334592 923058562 /nfs/dbraw/zinc/05/85/62/923058562.db2.gz LGGZKNAYGQBMIE-UHFFFAOYSA-N 1 2 405.395 4.064 20 30 HIEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000519872110 928105963 /nfs/dbraw/zinc/10/59/63/928105963.db2.gz MNCJASJHSXXFFI-UHFFFAOYSA-N 1 2 415.519 4.257 20 30 HIEDLO CC(C)[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000520761865 928805023 /nfs/dbraw/zinc/80/50/23/928805023.db2.gz IWZPKNQGPWAIRJ-KHCICDEESA-N 1 2 421.541 4.210 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c1C#N ZINC000533243566 931817304 /nfs/dbraw/zinc/81/73/04/931817304.db2.gz XECCFMHPJBBHCJ-UHFFFAOYSA-N 1 2 419.504 4.349 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c1C#N ZINC000533243566 931817305 /nfs/dbraw/zinc/81/73/05/931817305.db2.gz XECCFMHPJBBHCJ-UHFFFAOYSA-N 1 2 419.504 4.349 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)c1C#N ZINC000533348130 931845179 /nfs/dbraw/zinc/84/51/79/931845179.db2.gz DIPWNFBIGWXGHW-QHCPKHFHSA-N 1 2 413.525 4.196 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)c1C#N ZINC000533348130 931845183 /nfs/dbraw/zinc/84/51/83/931845183.db2.gz DIPWNFBIGWXGHW-QHCPKHFHSA-N 1 2 413.525 4.196 20 30 HIEDLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000533632028 931936257 /nfs/dbraw/zinc/93/62/57/931936257.db2.gz VUWCFNPXLBGLPI-CJMONDIMSA-N 1 2 400.885 4.156 20 30 HIEDLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000533632028 931936263 /nfs/dbraw/zinc/93/62/63/931936263.db2.gz VUWCFNPXLBGLPI-CJMONDIMSA-N 1 2 400.885 4.156 20 30 HIEDLO C=CCOc1ccccc1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534598770 932584266 /nfs/dbraw/zinc/58/42/66/932584266.db2.gz DKCSDDHKJUSPMV-UHFFFAOYSA-N 1 2 400.482 4.488 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000534954232 932856845 /nfs/dbraw/zinc/85/68/45/932856845.db2.gz JTFYDPUVMGKAIK-KRWDZBQOSA-N 1 2 405.477 4.131 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000534954232 932856851 /nfs/dbraw/zinc/85/68/51/932856851.db2.gz JTFYDPUVMGKAIK-KRWDZBQOSA-N 1 2 405.477 4.131 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000535977652 933542579 /nfs/dbraw/zinc/54/25/79/933542579.db2.gz IXGUSBDLQLZYOZ-MRXNPFEDSA-N 1 2 405.433 4.245 20 30 HIEDLO N#CC1(CCCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)CCOCC1 ZINC000537309061 933709052 /nfs/dbraw/zinc/70/90/52/933709052.db2.gz XHUQGNKIQCFDAS-UHFFFAOYSA-N 1 2 411.575 4.056 20 30 HIEDLO N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)c2)cc1 ZINC000537337095 933722041 /nfs/dbraw/zinc/72/20/41/933722041.db2.gz QXNKUQPVEPAXAB-JOCHJYFZSA-N 1 2 415.497 4.225 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)cc1 ZINC000537884174 938399278 /nfs/dbraw/zinc/39/92/78/938399278.db2.gz XLKKDXKXMSESCP-UHFFFAOYSA-N 1 2 424.455 4.112 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)cc1 ZINC000537884174 938399283 /nfs/dbraw/zinc/39/92/83/938399283.db2.gz XLKKDXKXMSESCP-UHFFFAOYSA-N 1 2 424.455 4.112 20 30 HIEDLO Cc1sc2nc([C@@H](C)[NH+]3CCC(Oc4cccc(C#N)c4)CC3)nc(N)c2c1C ZINC000538139091 938517129 /nfs/dbraw/zinc/51/71/29/938517129.db2.gz PMSPWPMZECUKIB-CQSZACIVSA-N 1 2 407.543 4.366 20 30 HIEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000539536960 938875519 /nfs/dbraw/zinc/87/55/19/938875519.db2.gz HYBXYKNAFIHUTE-IBGZPJMESA-N 1 2 417.469 4.252 20 30 HIEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000540037268 939046134 /nfs/dbraw/zinc/04/61/34/939046134.db2.gz CRZKBEZSJXTBPL-UHFFFAOYSA-N 1 2 411.421 4.192 20 30 HIEDLO C=CCC[C@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccccc1 ZINC000540457650 939259838 /nfs/dbraw/zinc/25/98/38/939259838.db2.gz GKBKGJFCSRPUBC-IBGZPJMESA-N 1 2 410.518 4.404 20 30 HIEDLO C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000540747921 939358062 /nfs/dbraw/zinc/35/80/62/939358062.db2.gz NGYOMIKXAFGYOM-SFHVURJKSA-N 1 2 423.944 4.155 20 30 HIEDLO C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000540747921 939358068 /nfs/dbraw/zinc/35/80/68/939358068.db2.gz NGYOMIKXAFGYOM-SFHVURJKSA-N 1 2 423.944 4.155 20 30 HIEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000541143578 939475083 /nfs/dbraw/zinc/47/50/83/939475083.db2.gz LNQJHFNAMKSBFA-UHFFFAOYSA-N 1 2 402.845 4.144 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541154726 939478653 /nfs/dbraw/zinc/47/86/53/939478653.db2.gz WDUKJHOZMOBVDC-TZIWHRDSSA-N 1 2 421.463 4.273 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541154726 939478656 /nfs/dbraw/zinc/47/86/56/939478656.db2.gz WDUKJHOZMOBVDC-TZIWHRDSSA-N 1 2 421.463 4.273 20 30 HIEDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000541632405 939576978 /nfs/dbraw/zinc/57/69/78/939576978.db2.gz DEVVREASNTYKOV-CABZTGNLSA-N 1 2 400.426 4.311 20 30 HIEDLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c3ccccc3)n2)cc1F ZINC000541688734 939603534 /nfs/dbraw/zinc/60/35/34/939603534.db2.gz COYCJZVHHPAZQD-DLBZAZTESA-N 1 2 421.476 4.170 20 30 HIEDLO C[NH+](C)[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1cccc(Cl)c1 ZINC000543000388 939893843 /nfs/dbraw/zinc/89/38/43/939893843.db2.gz GVEMDSAEWUTAQK-IBGZPJMESA-N 1 2 414.296 4.292 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@@H]2/C=C\c2cccs2)cc1 ZINC000543987829 940283917 /nfs/dbraw/zinc/28/39/17/940283917.db2.gz JWWHPNVBVSAJPK-ZBTAVZRMSA-N 1 2 400.569 4.351 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCCC[C@@H]2/C=C\c2cccs2)cc1 ZINC000543987829 940283924 /nfs/dbraw/zinc/28/39/24/940283924.db2.gz JWWHPNVBVSAJPK-ZBTAVZRMSA-N 1 2 400.569 4.351 20 30 HIEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@H](C)O1 ZINC000544236960 940364247 /nfs/dbraw/zinc/36/42/47/940364247.db2.gz YEZDWVHCSDCYQE-OALUTQOASA-N 1 2 418.541 4.364 20 30 HIEDLO C=CCn1c(SCCCn2cc[nH+]c2)nnc1-c1ccc(Br)cc1 ZINC000544618342 940491469 /nfs/dbraw/zinc/49/14/69/940491469.db2.gz MIEYPZBQYPJNKL-UHFFFAOYSA-N 1 2 404.337 4.273 20 30 HIEDLO CCOc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1OCC(=O)Nc1ccccc1 ZINC000546634010 940862989 /nfs/dbraw/zinc/86/29/89/940862989.db2.gz KPXHSUKBQYOTLI-UHFFFAOYSA-N 1 2 416.481 4.176 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000548798729 941124511 /nfs/dbraw/zinc/12/45/11/941124511.db2.gz RZOKROFWRADLCW-UHFFFAOYSA-N 1 2 422.532 4.402 20 30 HIEDLO COC(=O)c1cccc(-c2nc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)cs2)c1 ZINC000548798437 941124580 /nfs/dbraw/zinc/12/45/80/941124580.db2.gz SUSNKOZOWDRITP-UHFFFAOYSA-N 1 2 418.522 4.049 20 30 HIEDLO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000549656939 941203192 /nfs/dbraw/zinc/20/31/92/941203192.db2.gz SSFLCHQRCYVPJP-UHFFFAOYSA-N 1 2 411.937 4.014 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552122687 941589172 /nfs/dbraw/zinc/58/91/72/941589172.db2.gz ISTLHOSMZJFOOI-UXHICEINSA-N 1 2 415.871 4.083 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552122687 941589174 /nfs/dbraw/zinc/58/91/74/941589174.db2.gz ISTLHOSMZJFOOI-UXHICEINSA-N 1 2 415.871 4.083 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000552122689 941589286 /nfs/dbraw/zinc/58/92/86/941589286.db2.gz ISTLHOSMZJFOOI-WOJBJXKFSA-N 1 2 415.871 4.083 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000552122689 941589289 /nfs/dbraw/zinc/58/92/89/941589289.db2.gz ISTLHOSMZJFOOI-WOJBJXKFSA-N 1 2 415.871 4.083 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000553071510 941828642 /nfs/dbraw/zinc/82/86/42/941828642.db2.gz REWQQOBOUDHNPQ-GOSISDBHSA-N 1 2 419.554 4.160 20 30 HIEDLO Cc1[nH+]cn(-c2ccc(NC(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)cc2)c1C ZINC000556252687 942827124 /nfs/dbraw/zinc/82/71/24/942827124.db2.gz BSHZVXZBIRZHNC-UHFFFAOYSA-N 1 2 421.526 4.297 20 30 HIEDLO N#Cc1cc(Br)ccc1C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000558132894 943391704 /nfs/dbraw/zinc/39/17/04/943391704.db2.gz XBNUAHJKYCAWTB-KBXCAEBGSA-N 1 2 403.345 4.321 20 30 HIEDLO N#Cc1cc(Br)ccc1C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000558132894 943391711 /nfs/dbraw/zinc/39/17/11/943391711.db2.gz XBNUAHJKYCAWTB-KBXCAEBGSA-N 1 2 403.345 4.321 20 30 HIEDLO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000558988138 943789801 /nfs/dbraw/zinc/78/98/01/943789801.db2.gz RJBIYOVEDMUMHM-QHCPKHFHSA-N 1 2 416.573 4.113 20 30 HIEDLO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000559024707 943808246 /nfs/dbraw/zinc/80/82/46/943808246.db2.gz UHIPBOPQVYBSSM-NRFANRHFSA-N 1 2 402.546 4.118 20 30 HIEDLO N#C[C@H](C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000561972321 944881790 /nfs/dbraw/zinc/88/17/90/944881790.db2.gz CMPRYOGLZRBQOL-LJQANCHMSA-N 1 2 420.563 4.244 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000569710757 946952021 /nfs/dbraw/zinc/95/20/21/946952021.db2.gz XBXJILLGXUQUER-DEOSSOPVSA-N 1 2 420.532 4.126 20 30 HIEDLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1 ZINC000008310245 845512076 /nfs/dbraw/zinc/51/20/76/845512076.db2.gz SOGAOKOELRGASO-UHFFFAOYSA-N 1 2 415.493 4.216 20 30 HIEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1 ZINC000008310245 845512083 /nfs/dbraw/zinc/51/20/83/845512083.db2.gz SOGAOKOELRGASO-UHFFFAOYSA-N 1 2 415.493 4.216 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781373 846619068 /nfs/dbraw/zinc/61/90/68/846619068.db2.gz XSPHGESTSXATBO-NRFANRHFSA-N 1 2 424.548 4.370 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000024801134 846869417 /nfs/dbraw/zinc/86/94/17/846869417.db2.gz OAJUHQVYWHFCAB-UHFFFAOYSA-N 1 2 400.544 4.361 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000024801134 846869421 /nfs/dbraw/zinc/86/94/21/846869421.db2.gz OAJUHQVYWHFCAB-UHFFFAOYSA-N 1 2 400.544 4.361 20 30 HIEDLO N#Cc1ccnc(N2CC[NH+]([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)CC2)c1 ZINC000025941049 847059841 /nfs/dbraw/zinc/05/98/41/847059841.db2.gz MBDVQGLVWLVVJH-RUZDIDTESA-N 1 2 421.504 4.181 20 30 HIEDLO N#Cc1c(NC(=O)C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)sc2c1CCCCC2 ZINC000026117115 847089336 /nfs/dbraw/zinc/08/93/36/847089336.db2.gz CJCRLOLPUJLZGD-QHCPKHFHSA-N 1 2 423.582 4.273 20 30 HIEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961453 847484553 /nfs/dbraw/zinc/48/45/53/847484553.db2.gz RWOBDEWBFSPFHU-HXUWFJFHSA-N 1 2 412.537 4.246 20 30 HIEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961453 847484558 /nfs/dbraw/zinc/48/45/58/847484558.db2.gz RWOBDEWBFSPFHU-HXUWFJFHSA-N 1 2 412.537 4.246 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000029538656 847575760 /nfs/dbraw/zinc/57/57/60/847575760.db2.gz YXCSFTOYYHENPR-LJQANCHMSA-N 1 2 413.518 4.040 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000029538656 847575766 /nfs/dbraw/zinc/57/57/66/847575766.db2.gz YXCSFTOYYHENPR-LJQANCHMSA-N 1 2 413.518 4.040 20 30 HIEDLO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031890172 847961503 /nfs/dbraw/zinc/96/15/03/847961503.db2.gz PFIBTAHJWGKECM-HNAYVOBHSA-N 1 2 415.896 4.071 20 30 HIEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031896723 847962814 /nfs/dbraw/zinc/96/28/14/847962814.db2.gz NMWFKSRVCLIVQW-QRWLVFNGSA-N 1 2 415.896 4.071 20 30 HIEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000032049936 847982148 /nfs/dbraw/zinc/98/21/48/847982148.db2.gz WISNCVDRKSTCAU-UHFFFAOYSA-N 1 2 417.534 4.157 20 30 HIEDLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)Cc1ccc(C#N)cc1 ZINC000046527273 848866786 /nfs/dbraw/zinc/86/67/86/848866786.db2.gz QQXMMDIFDARUFG-LJQANCHMSA-N 1 2 404.495 4.022 20 30 HIEDLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)Cc1ccc(C#N)cc1 ZINC000046527273 848866789 /nfs/dbraw/zinc/86/67/89/848866789.db2.gz QQXMMDIFDARUFG-LJQANCHMSA-N 1 2 404.495 4.022 20 30 HIEDLO N#CCc1ccc(OCc2ccccc2NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000048161987 849183580 /nfs/dbraw/zinc/18/35/80/849183580.db2.gz VKWUAGMICTYCQQ-UHFFFAOYSA-N 1 2 415.497 4.350 20 30 HIEDLO COc1cccc(CN(C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000051325155 849457964 /nfs/dbraw/zinc/45/79/64/849457964.db2.gz DTEJFSBKDXSASD-UHFFFAOYSA-N 1 2 402.564 4.104 20 30 HIEDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)cc1 ZINC000054299704 849842162 /nfs/dbraw/zinc/84/21/62/849842162.db2.gz INPYFCMXSQZLKE-FQEVSTJZSA-N 1 2 403.526 4.225 20 30 HIEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)Cc1cccc(C#N)c1 ZINC000063300485 851654170 /nfs/dbraw/zinc/65/41/70/851654170.db2.gz URZLOTJQBRYQQZ-UHFFFAOYSA-N 1 2 413.521 4.367 20 30 HIEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)Cc1cccc(C#N)c1 ZINC000063300485 851654190 /nfs/dbraw/zinc/65/41/90/851654190.db2.gz URZLOTJQBRYQQZ-UHFFFAOYSA-N 1 2 413.521 4.367 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1C ZINC000065353128 852112119 /nfs/dbraw/zinc/11/21/19/852112119.db2.gz CUKWKTHWEVLFES-QHCPKHFHSA-N 1 2 423.532 4.370 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1C ZINC000065353128 852112127 /nfs/dbraw/zinc/11/21/27/852112127.db2.gz CUKWKTHWEVLFES-QHCPKHFHSA-N 1 2 423.532 4.370 20 30 HIEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000229001752 853890626 /nfs/dbraw/zinc/89/06/26/853890626.db2.gz MOHLKBQTSAWJIV-SPEDKVCISA-N 1 2 422.529 4.126 20 30 HIEDLO CN(C)c1ccc([NH+]2CCC(Nc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)cc1 ZINC000301447872 854396945 /nfs/dbraw/zinc/39/69/45/854396945.db2.gz KMFOOPWJJDFPIB-UHFFFAOYSA-N 1 2 416.485 4.162 20 30 HIEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000302993366 854713951 /nfs/dbraw/zinc/71/39/51/854713951.db2.gz MWAAAALFSBCHLD-HXUWFJFHSA-N 1 2 419.916 4.043 20 30 HIEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000302993366 854713958 /nfs/dbraw/zinc/71/39/58/854713958.db2.gz MWAAAALFSBCHLD-HXUWFJFHSA-N 1 2 419.916 4.043 20 30 HIEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303693047 855137257 /nfs/dbraw/zinc/13/72/57/855137257.db2.gz QAQYBRWRMNDUQM-WDEREUQCSA-N 1 2 400.338 4.208 20 30 HIEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303693047 855137260 /nfs/dbraw/zinc/13/72/60/855137260.db2.gz QAQYBRWRMNDUQM-WDEREUQCSA-N 1 2 400.338 4.208 20 30 HIEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000303861747 855256795 /nfs/dbraw/zinc/25/67/95/855256795.db2.gz GROPVAQJQPRFHK-OAHLLOKOSA-N 1 2 423.504 4.193 20 30 HIEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000303861747 855256803 /nfs/dbraw/zinc/25/68/03/855256803.db2.gz GROPVAQJQPRFHK-OAHLLOKOSA-N 1 2 423.504 4.193 20 30 HIEDLO O=C(c1ccc(F)cc1)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426401478 856275262 /nfs/dbraw/zinc/27/52/62/856275262.db2.gz PPVCWVDMDOBBDF-UHFFFAOYSA-N 1 2 404.407 4.044 20 30 HIEDLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426401478 856275270 /nfs/dbraw/zinc/27/52/70/856275270.db2.gz PPVCWVDMDOBBDF-UHFFFAOYSA-N 1 2 404.407 4.044 20 30 HIEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c(C#N)c1C ZINC000426407613 856277752 /nfs/dbraw/zinc/27/77/52/856277752.db2.gz VVCJQYLBNSGWLP-WMZOPIPTSA-N 1 2 424.353 4.072 20 30 HIEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c(C#N)c1C ZINC000426407613 856277760 /nfs/dbraw/zinc/27/77/60/856277760.db2.gz VVCJQYLBNSGWLP-WMZOPIPTSA-N 1 2 424.353 4.072 20 30 HIEDLO N#Cc1c(F)cccc1C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000428348666 857165105 /nfs/dbraw/zinc/16/51/05/857165105.db2.gz UIXPBVQINAIAFW-UHFFFAOYSA-N 1 2 408.395 4.166 20 30 HIEDLO C=CCN(CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)Cc1cccs1 ZINC000428460858 857209177 /nfs/dbraw/zinc/20/91/77/857209177.db2.gz LGXZIAGVOQTXCK-UHFFFAOYSA-N 1 2 404.605 4.063 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000429476857 857689053 /nfs/dbraw/zinc/68/90/53/857689053.db2.gz OZZSBBHFKZSPQP-UHFFFAOYSA-N 1 2 423.439 4.202 20 30 HIEDLO N#CCCn1ncc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1-c1ccccc1 ZINC000430417805 858151013 /nfs/dbraw/zinc/15/10/13/858151013.db2.gz VOANQGMIRJANOZ-UHFFFAOYSA-N 1 2 420.542 4.158 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430919847 858371001 /nfs/dbraw/zinc/37/10/01/858371001.db2.gz SDUVZCZYZSLFEW-IEBWSBKVSA-N 1 2 423.582 4.159 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430919847 858371003 /nfs/dbraw/zinc/37/10/03/858371003.db2.gz SDUVZCZYZSLFEW-IEBWSBKVSA-N 1 2 423.582 4.159 20 30 HIEDLO N#Cc1cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Oc1ccccc1 ZINC000433846578 859930297 /nfs/dbraw/zinc/93/02/97/859930297.db2.gz MQEVCVVDSKRYLP-OAQYLSRUSA-N 1 2 400.438 4.431 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H]4CCN(c5sccc5C#N)C4=O)CC3)c2c1 ZINC000434836739 860514609 /nfs/dbraw/zinc/51/46/09/860514609.db2.gz PGURMCPWHLLBQE-OAQYLSRUSA-N 1 2 418.522 4.004 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H]4CCN(c5sccc5C#N)C4=O)CC3)c2c1 ZINC000434836739 860514618 /nfs/dbraw/zinc/51/46/18/860514618.db2.gz PGURMCPWHLLBQE-OAQYLSRUSA-N 1 2 418.522 4.004 20 30 HIEDLO CCOc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)ccc1OC(F)F ZINC000434981293 860585341 /nfs/dbraw/zinc/58/53/41/860585341.db2.gz JFPVKTRGZXAXJQ-LJQANCHMSA-N 1 2 401.457 4.069 20 30 HIEDLO CC1(C)Cc2ccc(Cl)c(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2O1 ZINC000435326011 860737491 /nfs/dbraw/zinc/73/74/91/860737491.db2.gz HITUWFGJUMPBMA-UHFFFAOYSA-N 1 2 424.932 4.275 20 30 HIEDLO N#Cc1cccc(C2(C(=O)NC[C@H](c3c(F)cccc3Cl)[NH+]3CCCC3)CC2)c1 ZINC000435574199 860892239 /nfs/dbraw/zinc/89/22/39/860892239.db2.gz MXHJESOUYBUVRG-HXUWFJFHSA-N 1 2 411.908 4.336 20 30 HIEDLO CCOc1ccc(C#N)cc1NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000437817161 863153386 /nfs/dbraw/zinc/15/33/86/863153386.db2.gz BKEVCOJEAMVLDD-UHFFFAOYSA-N 1 2 407.518 4.122 20 30 HIEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)c2)cc1 ZINC000438027928 863386795 /nfs/dbraw/zinc/38/67/95/863386795.db2.gz MGXHMRUXBJHCHQ-OAQYLSRUSA-N 1 2 420.513 4.069 20 30 HIEDLO COc1ccc(C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)Cc2ccccc2)cc1 ZINC000438739432 864228167 /nfs/dbraw/zinc/22/81/67/864228167.db2.gz UZPUSIDAFMDFGL-UHFFFAOYSA-N 1 2 403.482 4.418 20 30 HIEDLO COc1ccc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)Cc2ccccc2)cc1 ZINC000438739432 864228193 /nfs/dbraw/zinc/22/81/93/864228193.db2.gz UZPUSIDAFMDFGL-UHFFFAOYSA-N 1 2 403.482 4.418 20 30 HIEDLO CCCc1c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1cccc(C#N)c1 ZINC000439696864 865034278 /nfs/dbraw/zinc/03/42/78/865034278.db2.gz UPCROVDIQRYMLS-JTSKRJEESA-N 1 2 417.517 4.008 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2Cl)c1 ZINC000439837448 865151371 /nfs/dbraw/zinc/15/13/71/865151371.db2.gz ASBMACMKBPMKLE-QGZVFWFLSA-N 1 2 406.873 4.188 20 30 HIEDLO C=CCOc1ccccc1CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440804031 865923187 /nfs/dbraw/zinc/92/31/87/865923187.db2.gz VILFDSPXTDAOLT-JOCHJYFZSA-N 1 2 404.514 4.305 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3ccsc3)C2)sc2c1CCCCC2 ZINC000468108689 881924815 /nfs/dbraw/zinc/92/48/15/881924815.db2.gz GEHVFQKBAMSAKU-SFHVURJKSA-N 1 2 415.584 4.352 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3ccsc3)C2)sc2c1CCCCC2 ZINC000468108689 881924845 /nfs/dbraw/zinc/92/48/45/881924845.db2.gz GEHVFQKBAMSAKU-SFHVURJKSA-N 1 2 415.584 4.352 20 30 HIEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](c4ccsc4)C3)sc2C1 ZINC000468111576 881929983 /nfs/dbraw/zinc/92/99/83/881929983.db2.gz VSTCNDUAUYVXBK-RDTXWAMCSA-N 1 2 415.584 4.208 20 30 HIEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H](c4ccsc4)C3)sc2C1 ZINC000468111576 881929993 /nfs/dbraw/zinc/92/99/93/881929993.db2.gz VSTCNDUAUYVXBK-RDTXWAMCSA-N 1 2 415.584 4.208 20 30 HIEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000441327821 866399656 /nfs/dbraw/zinc/39/96/56/866399656.db2.gz HDFZBGNCKXIJFX-MRXNPFEDSA-N 1 2 407.905 4.140 20 30 HIEDLO COc1cc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)ccc1C#N ZINC000442809008 867683064 /nfs/dbraw/zinc/68/30/64/867683064.db2.gz ITALMORRSFTOJG-UHFFFAOYSA-N 1 2 415.493 4.254 20 30 HIEDLO COc1cc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)ccc1C#N ZINC000442809008 867683071 /nfs/dbraw/zinc/68/30/71/867683071.db2.gz ITALMORRSFTOJG-UHFFFAOYSA-N 1 2 415.493 4.254 20 30 HIEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000443637578 868222278 /nfs/dbraw/zinc/22/22/78/868222278.db2.gz GMDRFAHGHCXIQW-DZGCQCFKSA-N 1 2 410.449 4.255 20 30 HIEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000443637578 868222301 /nfs/dbraw/zinc/22/23/01/868222301.db2.gz GMDRFAHGHCXIQW-DZGCQCFKSA-N 1 2 410.449 4.255 20 30 HIEDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cs1 ZINC000444238581 868687925 /nfs/dbraw/zinc/68/79/25/868687925.db2.gz LMNIHPTUDCUVLM-ZDUSSCGKSA-N 1 2 406.939 4.226 20 30 HIEDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cs1 ZINC000444238581 868687933 /nfs/dbraw/zinc/68/79/33/868687933.db2.gz LMNIHPTUDCUVLM-ZDUSSCGKSA-N 1 2 406.939 4.226 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2)c1C#N ZINC000444703780 868965507 /nfs/dbraw/zinc/96/55/07/868965507.db2.gz KEPFNMTXMOOKKA-UHFFFAOYSA-N 1 2 422.479 4.374 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)Cc2cc(F)cc(F)c2)c1C#N ZINC000444703780 868965513 /nfs/dbraw/zinc/96/55/13/868965513.db2.gz KEPFNMTXMOOKKA-UHFFFAOYSA-N 1 2 422.479 4.374 20 30 HIEDLO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4cc(Cl)ccc4C#N)CC3)oc21 ZINC000444767527 868993985 /nfs/dbraw/zinc/99/39/85/868993985.db2.gz SQVLAPSNAPSCQS-UHFFFAOYSA-N 1 2 408.889 4.479 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000444898744 869085567 /nfs/dbraw/zinc/08/55/67/869085567.db2.gz PIWRINXUIOIMGE-SFHVURJKSA-N 1 2 401.470 4.496 20 30 HIEDLO Cc1[nH+]cc(CNc2nnc(SCc3ccc(C#N)cc3)s2)n1-c1ccccc1 ZINC000447949857 871819734 /nfs/dbraw/zinc/81/97/34/871819734.db2.gz CCYLRRFUNVJQGH-UHFFFAOYSA-N 1 2 418.551 4.808 20 30 HIEDLO N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000448542136 872547162 /nfs/dbraw/zinc/54/71/62/872547162.db2.gz KPBMUJCBQBMRQC-UHFFFAOYSA-N 1 2 400.486 4.229 20 30 HIEDLO CCC(CC)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000460877169 873787262 /nfs/dbraw/zinc/78/72/62/873787262.db2.gz ATROEJHTPUFTCC-XMMPIXPASA-N 1 2 421.541 4.213 20 30 HIEDLO N#Cc1ccc(CN2CCC([NH2+][C@@H](CO)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000463246904 876305120 /nfs/dbraw/zinc/30/51/20/876305120.db2.gz YCKDKVAIJOAHEU-FQEVSTJZSA-N 1 2 404.341 4.153 20 30 HIEDLO C=CCOc1cc(OC)ccc1C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464399205 877600565 /nfs/dbraw/zinc/60/05/65/877600565.db2.gz YEEXVBMWJMBZNQ-UHFFFAOYSA-N 1 2 409.530 4.034 20 30 HIEDLO CC(C)c1ccc(-c2ncc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)s2)cc1 ZINC000464855759 878132975 /nfs/dbraw/zinc/13/29/75/878132975.db2.gz IZLREKYMFZIODH-KRWDZBQOSA-N 1 2 418.570 4.306 20 30 HIEDLO CC(C)c1ccc(-c2ncc(C[N@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)s2)cc1 ZINC000464855759 878132989 /nfs/dbraw/zinc/13/29/89/878132989.db2.gz IZLREKYMFZIODH-KRWDZBQOSA-N 1 2 418.570 4.306 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3CCC(F)(F)F)CC2)cc1 ZINC000465240442 878659918 /nfs/dbraw/zinc/65/99/18/878659918.db2.gz KHQDKRGSPURUJR-UHFFFAOYSA-N 1 2 416.447 4.403 20 30 HIEDLO CCC[C@H](CCc1ccccc1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000466046305 879735509 /nfs/dbraw/zinc/73/55/09/879735509.db2.gz FKZZOJIKMVXWAC-XMMPIXPASA-N 1 2 404.558 4.187 20 30 HIEDLO N#Cc1cccc(-c2cc(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)on2)c1 ZINC000469051512 883122671 /nfs/dbraw/zinc/12/26/71/883122671.db2.gz PYBVVKUOSFWDDU-UHFFFAOYSA-N 1 2 407.433 4.381 20 30 HIEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(C)c1 ZINC000469115724 883208224 /nfs/dbraw/zinc/20/82/24/883208224.db2.gz RWJVLECFRSQNJF-JOCHJYFZSA-N 1 2 411.465 4.198 20 30 HIEDLO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469181656 883282234 /nfs/dbraw/zinc/28/22/34/883282234.db2.gz IHJWUTSGDYAXJI-LJQANCHMSA-N 1 2 401.491 4.398 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1ccc(Cl)cc1 ZINC000469260300 883357427 /nfs/dbraw/zinc/35/74/27/883357427.db2.gz ASQLMRSRNHXXGX-WIYYLYMNSA-N 1 2 406.873 4.042 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1ccc(Cl)cc1 ZINC000469260300 883357449 /nfs/dbraw/zinc/35/74/49/883357449.db2.gz ASQLMRSRNHXXGX-WIYYLYMNSA-N 1 2 406.873 4.042 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470927070 885432265 /nfs/dbraw/zinc/43/22/65/885432265.db2.gz AUATZEYTDGWFPH-MAUKXSAKSA-N 1 2 404.436 4.177 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470927070 885432275 /nfs/dbraw/zinc/43/22/75/885432275.db2.gz AUATZEYTDGWFPH-MAUKXSAKSA-N 1 2 404.436 4.177 20 30 HIEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)ccc1SC ZINC000471012771 885515211 /nfs/dbraw/zinc/51/52/11/885515211.db2.gz RUJGGNLIHCWUNQ-IBGZPJMESA-N 1 2 401.963 4.453 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1C#N ZINC000471018936 885522572 /nfs/dbraw/zinc/52/25/72/885522572.db2.gz QFZYUSPXPYDOEM-MWTRTKDXSA-N 1 2 402.498 4.249 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1C#N ZINC000471018936 885522591 /nfs/dbraw/zinc/52/25/91/885522591.db2.gz QFZYUSPXPYDOEM-MWTRTKDXSA-N 1 2 402.498 4.249 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1C#N ZINC000471018937 885522843 /nfs/dbraw/zinc/52/28/43/885522843.db2.gz QFZYUSPXPYDOEM-QMHKHESXSA-N 1 2 402.498 4.249 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1C#N ZINC000471018937 885522856 /nfs/dbraw/zinc/52/28/56/885522856.db2.gz QFZYUSPXPYDOEM-QMHKHESXSA-N 1 2 402.498 4.249 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471980483 886808632 /nfs/dbraw/zinc/80/86/32/886808632.db2.gz RSBFKZBTKVIVAT-XLIONFOSSA-N 1 2 402.420 4.241 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471980483 886808633 /nfs/dbraw/zinc/80/86/33/886808633.db2.gz RSBFKZBTKVIVAT-XLIONFOSSA-N 1 2 402.420 4.241 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471984291 886812282 /nfs/dbraw/zinc/81/22/82/886812282.db2.gz FXFYTWAQSVKUIV-HKUYNNGSSA-N 1 2 406.383 4.072 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471984291 886812295 /nfs/dbraw/zinc/81/22/95/886812295.db2.gz FXFYTWAQSVKUIV-HKUYNNGSSA-N 1 2 406.383 4.072 20 30 HIEDLO C=CCC[C@H](NC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000474546857 889422769 /nfs/dbraw/zinc/42/27/69/889422769.db2.gz YZUJMBYZHFBCDI-RTWAWAEBSA-N 1 2 411.550 4.081 20 30 HIEDLO C=CCC[C@H](NC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000474546857 889422779 /nfs/dbraw/zinc/42/27/79/889422779.db2.gz YZUJMBYZHFBCDI-RTWAWAEBSA-N 1 2 411.550 4.081 20 30 HIEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1OC(F)F ZINC000475337737 890258676 /nfs/dbraw/zinc/25/86/76/890258676.db2.gz QZIUQRXDCAGXPJ-SFHVURJKSA-N 1 2 421.875 4.332 20 30 HIEDLO CCOCc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccc1OC ZINC000475355522 890279869 /nfs/dbraw/zinc/27/98/69/890279869.db2.gz PAJJXBKXRJXNMS-JOCHJYFZSA-N 1 2 413.949 4.268 20 30 HIEDLO CC(C)(C#N)c1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000475655471 890600950 /nfs/dbraw/zinc/60/09/50/890600950.db2.gz LZVCPEIZSCAXKM-UHFFFAOYSA-N 1 2 412.497 4.377 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000475771390 890715033 /nfs/dbraw/zinc/71/50/33/890715033.db2.gz IFBUEMMMPTZNHD-INIZCTEOSA-N 1 2 409.223 4.311 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000476669259 891617431 /nfs/dbraw/zinc/61/74/31/891617431.db2.gz UQXXCRVZHGSSFK-QGZVFWFLSA-N 1 2 419.300 4.321 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000477075744 892009360 /nfs/dbraw/zinc/00/93/60/892009360.db2.gz MAYSNPCZNKIPIV-CHAGWJKLSA-N 1 2 402.585 4.334 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000477075744 892009377 /nfs/dbraw/zinc/00/93/77/892009377.db2.gz MAYSNPCZNKIPIV-CHAGWJKLSA-N 1 2 402.585 4.334 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000478430695 893729130 /nfs/dbraw/zinc/72/91/30/893729130.db2.gz HKWFXXPYSUAUQX-UHFFFAOYSA-N 1 2 402.519 4.274 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000478430695 893729165 /nfs/dbraw/zinc/72/91/65/893729165.db2.gz HKWFXXPYSUAUQX-UHFFFAOYSA-N 1 2 402.519 4.274 20 30 HIEDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)ccc1OC(F)F ZINC000478973150 894251107 /nfs/dbraw/zinc/25/11/07/894251107.db2.gz RHVIPUGQPYJUKN-UHFFFAOYSA-N 1 2 423.485 4.307 20 30 HIEDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)ccc1OC(F)F ZINC000478973150 894251132 /nfs/dbraw/zinc/25/11/32/894251132.db2.gz RHVIPUGQPYJUKN-UHFFFAOYSA-N 1 2 423.485 4.307 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1C#N ZINC000505211566 913886218 /nfs/dbraw/zinc/88/62/18/913886218.db2.gz UEHWZWRZPIXBFV-QGZVFWFLSA-N 1 2 411.575 4.366 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](c3nccs3)C2)c1C#N ZINC000505211566 913886220 /nfs/dbraw/zinc/88/62/20/913886220.db2.gz UEHWZWRZPIXBFV-QGZVFWFLSA-N 1 2 411.575 4.366 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479861209 895197566 /nfs/dbraw/zinc/19/75/66/895197566.db2.gz YCHYJQPSLWXYIK-IITNATTFSA-N 1 2 424.495 4.191 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479861209 895197589 /nfs/dbraw/zinc/19/75/89/895197589.db2.gz YCHYJQPSLWXYIK-IITNATTFSA-N 1 2 424.495 4.191 20 30 HIEDLO Cc1ccc2c(ncc(C#N)c2N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1Br ZINC000480092158 895455601 /nfs/dbraw/zinc/45/56/01/895455601.db2.gz LLBYZYJNJHVCOP-SUMWQHHRSA-N 1 2 410.319 4.461 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000481823221 897195040 /nfs/dbraw/zinc/19/50/40/897195040.db2.gz JITJYDJFGGQMFQ-OTWHNJEPSA-N 1 2 408.502 4.083 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000481823221 897195045 /nfs/dbraw/zinc/19/50/45/897195045.db2.gz JITJYDJFGGQMFQ-OTWHNJEPSA-N 1 2 408.502 4.083 20 30 HIEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncc(Br)cc1Br ZINC000482166999 897632039 /nfs/dbraw/zinc/63/20/39/897632039.db2.gz VSXUUZUJAOPOOU-UHFFFAOYSA-N 1 2 400.114 4.430 20 30 HIEDLO C=CC[N@H+](CCc1ccco1)Cc1ncc(Br)cc1Br ZINC000482166999 897632045 /nfs/dbraw/zinc/63/20/45/897632045.db2.gz VSXUUZUJAOPOOU-UHFFFAOYSA-N 1 2 400.114 4.430 20 30 HIEDLO C[C@@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000482606646 898207967 /nfs/dbraw/zinc/20/79/67/898207967.db2.gz OHVCBIMFZUQCQG-SFHVURJKSA-N 1 2 423.944 4.223 20 30 HIEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000483261343 898902363 /nfs/dbraw/zinc/90/23/63/898902363.db2.gz RVBDTYUHRDOFJL-LJQANCHMSA-N 1 2 400.482 4.179 20 30 HIEDLO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000484504428 899995218 /nfs/dbraw/zinc/99/52/18/899995218.db2.gz QNPIQJRSFYVLDM-HNNXBMFYSA-N 1 2 423.542 4.040 20 30 HIEDLO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+]([C@H](C)c4cccc(C#N)c4)CC3)n2)cc1 ZINC000489819950 903613172 /nfs/dbraw/zinc/61/31/72/903613172.db2.gz SGOCHZQGRKLFPY-RTBURBONSA-N 1 2 401.514 4.357 20 30 HIEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000490077908 903761456 /nfs/dbraw/zinc/76/14/56/903761456.db2.gz FMURIFDLJHLNMO-SFHVURJKSA-N 1 2 403.935 4.214 20 30 HIEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000490077908 903761471 /nfs/dbraw/zinc/76/14/71/903761471.db2.gz FMURIFDLJHLNMO-SFHVURJKSA-N 1 2 403.935 4.214 20 30 HIEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490224720 903836621 /nfs/dbraw/zinc/83/66/21/903836621.db2.gz NWOZDJHMONBWRW-LEWJYISDSA-N 1 2 403.448 4.247 20 30 HIEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490224720 903836635 /nfs/dbraw/zinc/83/66/35/903836635.db2.gz NWOZDJHMONBWRW-LEWJYISDSA-N 1 2 403.448 4.247 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000494900569 906075863 /nfs/dbraw/zinc/07/58/63/906075863.db2.gz KGQSLQATXBIPLD-UHFFFAOYSA-N 1 2 421.516 4.175 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000494900569 906075875 /nfs/dbraw/zinc/07/58/75/906075875.db2.gz KGQSLQATXBIPLD-UHFFFAOYSA-N 1 2 421.516 4.175 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)c(F)c1 ZINC000512826929 921331358 /nfs/dbraw/zinc/33/13/58/921331358.db2.gz HGXBFABUUNNFPN-UHFFFAOYSA-N 1 2 412.852 4.444 20 30 HIEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499621398 908857663 /nfs/dbraw/zinc/85/76/63/908857663.db2.gz XVWGRVCJJKERHF-QHCPKHFHSA-N 1 2 422.573 4.022 20 30 HIEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499621398 908857667 /nfs/dbraw/zinc/85/76/67/908857667.db2.gz XVWGRVCJJKERHF-QHCPKHFHSA-N 1 2 422.573 4.022 20 30 HIEDLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000499739301 908895223 /nfs/dbraw/zinc/89/52/23/908895223.db2.gz PBPXGUGTKULRSS-INIZCTEOSA-N 1 2 416.352 4.388 20 30 HIEDLO COc1cccc(C2(F)CC[NH+](CC(=O)Nc3sc(C)c(C)c3C#N)CC2)c1 ZINC000500157420 909639619 /nfs/dbraw/zinc/63/96/19/909639619.db2.gz UABUHCNJHRFUMP-UHFFFAOYSA-N 1 2 401.507 4.145 20 30 HIEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1OCC ZINC000500450074 909867270 /nfs/dbraw/zinc/86/72/70/909867270.db2.gz YFEDJTVSMKALLD-UHFFFAOYSA-N 1 2 423.355 4.049 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(CCC(F)(F)F)cc3)CC2)cc1 ZINC000501834060 910876388 /nfs/dbraw/zinc/87/63/88/910876388.db2.gz UVZHWCBZROAFHO-UHFFFAOYSA-N 1 2 401.432 4.011 20 30 HIEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000513256021 921660968 /nfs/dbraw/zinc/66/09/68/921660968.db2.gz KGQZGWVTFJKSAL-NWDGAFQWSA-N 1 2 404.486 4.240 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502547721 911554941 /nfs/dbraw/zinc/55/49/41/911554941.db2.gz DEWOQGDUIWZJRJ-UHFFFAOYSA-N 1 2 424.353 4.042 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502547721 911554950 /nfs/dbraw/zinc/55/49/50/911554950.db2.gz DEWOQGDUIWZJRJ-UHFFFAOYSA-N 1 2 424.353 4.042 20 30 HIEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C(=O)Nc3ccccc3)c3ccccc3)C2=O)cc1 ZINC000502638888 911672045 /nfs/dbraw/zinc/67/20/45/911672045.db2.gz ZLFSCFZHRWBPSN-RPWUZVMVSA-N 1 2 424.504 4.023 20 30 HIEDLO CC[N@H+](CCC#N)Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000506480757 915086194 /nfs/dbraw/zinc/08/61/94/915086194.db2.gz LMJQFQBEVXLNLA-UHFFFAOYSA-N 1 2 404.514 4.351 20 30 HIEDLO CC[N@@H+](CCC#N)Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000506480757 915086213 /nfs/dbraw/zinc/08/62/13/915086213.db2.gz LMJQFQBEVXLNLA-UHFFFAOYSA-N 1 2 404.514 4.351 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000507785331 916569662 /nfs/dbraw/zinc/56/96/62/916569662.db2.gz BQLZEZKEHIDTCL-UHFFFAOYSA-N 1 2 403.404 4.059 20 30 HIEDLO C[C@H]1CCN(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c2ccccc2S1 ZINC000507805822 916594182 /nfs/dbraw/zinc/59/41/82/916594182.db2.gz KSRHVGQROULAJY-SFHVURJKSA-N 1 2 421.566 4.319 20 30 HIEDLO Cc1noc(C)c1CN1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000509406002 918070450 /nfs/dbraw/zinc/07/04/50/918070450.db2.gz FSLYCMSBMJRBCC-UHFFFAOYSA-N 1 2 416.525 4.060 20 30 HIEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000509406002 918070460 /nfs/dbraw/zinc/07/04/60/918070460.db2.gz FSLYCMSBMJRBCC-UHFFFAOYSA-N 1 2 416.525 4.060 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@@H](n3ncc4ccccc43)C1)CCCCC2 ZINC000510407531 918878506 /nfs/dbraw/zinc/87/85/06/918878506.db2.gz ROZYUBOVAUVXAH-QGZVFWFLSA-N 1 2 419.554 4.124 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@@H](n3ncc4ccccc43)C1)CCCCC2 ZINC000510407531 918878512 /nfs/dbraw/zinc/87/85/12/918878512.db2.gz ROZYUBOVAUVXAH-QGZVFWFLSA-N 1 2 419.554 4.124 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3N3CCCCCC3)CC2)cc1 ZINC000511193774 919811727 /nfs/dbraw/zinc/81/17/27/919811727.db2.gz YQBPAVPRCJSXCR-UHFFFAOYSA-N 1 2 417.557 4.288 20 30 HIEDLO N#Cc1cc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)ccc1F ZINC000511971073 920738715 /nfs/dbraw/zinc/73/87/15/920738715.db2.gz GJBRRXMMTFGLNZ-UHFFFAOYSA-N 1 2 414.843 4.419 20 30 HIEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC000512177202 920914647 /nfs/dbraw/zinc/91/46/47/920914647.db2.gz GMMAFERYYGYIEC-UHFFFAOYSA-N 1 2 415.896 4.120 20 30 HIEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(Br)c1 ZINC000513783758 922109154 /nfs/dbraw/zinc/10/91/54/922109154.db2.gz DYUNXKHJKHZLAH-UHFFFAOYSA-N 1 2 421.360 4.005 20 30 HIEDLO CC(C)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(Br)c1 ZINC000513783758 922109170 /nfs/dbraw/zinc/10/91/70/922109170.db2.gz DYUNXKHJKHZLAH-UHFFFAOYSA-N 1 2 421.360 4.005 20 30 HIEDLO N#CCCCn1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c2ccccc21 ZINC000513995185 922318731 /nfs/dbraw/zinc/31/87/31/922318731.db2.gz ULSZYHKQIYBIMF-OAQYLSRUSA-N 1 2 406.917 4.385 20 30 HIEDLO C=C1CC[NH+](CC(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)CC1 ZINC000518678494 927424077 /nfs/dbraw/zinc/42/40/77/927424077.db2.gz XQRPNGXQBUNBCN-YVMONPNESA-N 1 2 404.510 4.156 20 30 HIEDLO N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)cc2)nc1 ZINC000521114771 929004735 /nfs/dbraw/zinc/00/47/35/929004735.db2.gz JBXDDJCZKXHQMY-UHFFFAOYSA-N 1 2 419.510 4.440 20 30 HIEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(C#N)cc2)c2cc(F)ccc2F)c1 ZINC000525688730 930405048 /nfs/dbraw/zinc/40/50/48/930405048.db2.gz JAHIZSMRHSTTMA-QFIPXVFZSA-N 1 2 412.461 4.119 20 30 HIEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000532032941 931292294 /nfs/dbraw/zinc/29/22/94/931292294.db2.gz KISKXBWZVIVWKK-FQEVSTJZSA-N 1 2 418.310 4.029 20 30 HIEDLO N#Cc1ccc(C[N@@H+](CC(=O)NCc2ccccc2F)Cc2cccc(F)c2)cc1 ZINC000532656099 931571659 /nfs/dbraw/zinc/57/16/59/931571659.db2.gz NMIAGPGHAKVJDD-UHFFFAOYSA-N 1 2 405.448 4.155 20 30 HIEDLO N#Cc1ccc(C[N@H+](CC(=O)NCc2ccccc2F)Cc2cccc(F)c2)cc1 ZINC000532656099 931571664 /nfs/dbraw/zinc/57/16/64/931571664.db2.gz NMIAGPGHAKVJDD-UHFFFAOYSA-N 1 2 405.448 4.155 20 30 HIEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533424540 931864023 /nfs/dbraw/zinc/86/40/23/931864023.db2.gz BPJXLOGBGKKILN-OAHLLOKOSA-N 1 2 413.905 4.091 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000534954630 932856821 /nfs/dbraw/zinc/85/68/21/932856821.db2.gz QLRKKJWTODBQMK-KRWDZBQOSA-N 1 2 405.477 4.131 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000534954630 932856825 /nfs/dbraw/zinc/85/68/25/932856825.db2.gz QLRKKJWTODBQMK-KRWDZBQOSA-N 1 2 405.477 4.131 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000535211335 933017824 /nfs/dbraw/zinc/01/78/24/933017824.db2.gz KXMICTGYYWSTRC-IBGZPJMESA-N 1 2 415.497 4.087 20 30 HIEDLO C=C[C@@H](CC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1)c1ccccc1 ZINC000535474484 933166008 /nfs/dbraw/zinc/16/60/08/933166008.db2.gz IEOCOUJNJFRWQP-IBGZPJMESA-N 1 2 422.960 4.382 20 30 HIEDLO C=C[C@@H](CC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1)c1ccccc1 ZINC000535474484 933166026 /nfs/dbraw/zinc/16/60/26/933166026.db2.gz IEOCOUJNJFRWQP-IBGZPJMESA-N 1 2 422.960 4.382 20 30 HIEDLO Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2[nH+]c1C(C)(C)C ZINC000535509078 933203455 /nfs/dbraw/zinc/20/34/55/933203455.db2.gz WPTYZWPZBAWFPA-UHFFFAOYSA-N 1 2 402.907 4.197 20 30 HIEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000538196362 938549327 /nfs/dbraw/zinc/54/93/27/938549327.db2.gz CUHUUKXXOLHCCR-INIZCTEOSA-N 1 2 424.464 4.106 20 30 HIEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000538196363 938549657 /nfs/dbraw/zinc/54/96/57/938549657.db2.gz CUHUUKXXOLHCCR-MRXNPFEDSA-N 1 2 424.464 4.106 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000539003189 938766029 /nfs/dbraw/zinc/76/60/29/938766029.db2.gz PBZVEAUUDKWFOB-SFHVURJKSA-N 1 2 417.513 4.001 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000539003189 938766030 /nfs/dbraw/zinc/76/60/30/938766030.db2.gz PBZVEAUUDKWFOB-SFHVURJKSA-N 1 2 417.513 4.001 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2F)c1C#N ZINC000540323210 939194308 /nfs/dbraw/zinc/19/43/08/939194308.db2.gz CQWOQNOPQDXMQC-CQSZACIVSA-N 1 2 412.440 4.185 20 30 HIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540389496 939227310 /nfs/dbraw/zinc/22/73/10/939227310.db2.gz CTKDDLWGXNOLSU-MRXNPFEDSA-N 1 2 424.464 4.106 20 30 HIEDLO N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000540864235 939401383 /nfs/dbraw/zinc/40/13/83/939401383.db2.gz QRNWGOGIWCUVCW-UHFFFAOYSA-N 1 2 413.477 4.435 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541116899 939465763 /nfs/dbraw/zinc/46/57/63/939465763.db2.gz NDLQSRHSMTWXEI-JBZDTAIVSA-N 1 2 416.447 4.171 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541116899 939465769 /nfs/dbraw/zinc/46/57/69/939465769.db2.gz NDLQSRHSMTWXEI-JBZDTAIVSA-N 1 2 416.447 4.171 20 30 HIEDLO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000541691970 939605841 /nfs/dbraw/zinc/60/58/41/939605841.db2.gz VRITWIVANKBMAE-CYBMUJFWSA-N 1 2 400.251 4.341 20 30 HIEDLO Cc1nc(NCc2cccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)cc[nH+]1 ZINC000542655903 939851922 /nfs/dbraw/zinc/85/19/22/939851922.db2.gz BVFACUOUSYAKFL-PKTZIBPZSA-N 1 2 411.509 4.309 20 30 HIEDLO C[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942706 939882781 /nfs/dbraw/zinc/88/27/81/939882781.db2.gz SJDRHWMTYKLCJY-OAHLLOKOSA-N 1 2 411.552 4.077 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543022114 939896968 /nfs/dbraw/zinc/89/69/68/939896968.db2.gz WIFVPZWRVBGGKJ-FPOVZHCZSA-N 1 2 413.443 4.224 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543022114 939896969 /nfs/dbraw/zinc/89/69/69/939896969.db2.gz WIFVPZWRVBGGKJ-FPOVZHCZSA-N 1 2 413.443 4.224 20 30 HIEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C2CC2)cc1 ZINC000543175368 939985268 /nfs/dbraw/zinc/98/52/68/939985268.db2.gz NSXMMZZOZZTISV-OAQYLSRUSA-N 1 2 414.465 4.087 20 30 HIEDLO N#Cc1ccc(C[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C2CC2)cc1 ZINC000543175368 939985273 /nfs/dbraw/zinc/98/52/73/939985273.db2.gz NSXMMZZOZZTISV-OAQYLSRUSA-N 1 2 414.465 4.087 20 30 HIEDLO Cc1c([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cnn1-c1ccc(F)cc1 ZINC000543473223 940075851 /nfs/dbraw/zinc/07/58/51/940075851.db2.gz CEEVQLRWKORZNG-CQSZACIVSA-N 1 2 402.433 4.092 20 30 HIEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000547978614 941081793 /nfs/dbraw/zinc/08/17/93/941081793.db2.gz DZAWZORHCFYZFV-OPAMFIHVSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000547978614 941081794 /nfs/dbraw/zinc/08/17/94/941081794.db2.gz DZAWZORHCFYZFV-OPAMFIHVSA-N 1 2 410.949 4.288 20 30 HIEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](c3cncc(Br)c3)C3CC3)o2)c1 ZINC000551721462 941533135 /nfs/dbraw/zinc/53/31/35/941533135.db2.gz WCBXJCRALXGHAM-GOSISDBHSA-N 1 2 410.275 4.007 20 30 HIEDLO C=CCOc1ccc(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000553901146 941994731 /nfs/dbraw/zinc/99/47/31/941994731.db2.gz KUPDAFXNYCUAHD-HSZRJFAPSA-N 1 2 404.514 4.305 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)c1C#N ZINC000554245439 942076329 /nfs/dbraw/zinc/07/63/29/942076329.db2.gz BJWNHUZKXDHKOX-QHCPKHFHSA-N 1 2 413.525 4.196 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)c1C#N ZINC000554245439 942076336 /nfs/dbraw/zinc/07/63/36/942076336.db2.gz BJWNHUZKXDHKOX-QHCPKHFHSA-N 1 2 413.525 4.196 20 30 HIEDLO C[C@](CO)([NH2+]Cc1ccc(Br)cc1C#N)c1ccc(Br)cc1 ZINC000554255840 942080851 /nfs/dbraw/zinc/08/08/51/942080851.db2.gz DQQQLNJDJHNVSU-QGZVFWFLSA-N 1 2 424.136 4.081 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)C2 ZINC000558585960 943609348 /nfs/dbraw/zinc/60/93/48/943609348.db2.gz AIAHTNJLWKDZRC-OAHLLOKOSA-N 1 2 401.470 4.336 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)CC2 ZINC000558585960 943609353 /nfs/dbraw/zinc/60/93/53/943609353.db2.gz AIAHTNJLWKDZRC-OAHLLOKOSA-N 1 2 401.470 4.336 20 30 HIEDLO N#Cc1cc(Oc2ccc(NC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)cc2)ccn1 ZINC000562109190 944944913 /nfs/dbraw/zinc/94/49/13/944944913.db2.gz QKHYVHDCNJWESU-UHFFFAOYSA-N 1 2 424.464 4.312 20 30 HIEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000564324305 945516342 /nfs/dbraw/zinc/51/63/42/945516342.db2.gz BLJCCCSSTXHXLZ-UHFFFAOYSA-N 1 2 416.312 4.094 20 30 HIEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000564324305 945516350 /nfs/dbraw/zinc/51/63/50/945516350.db2.gz BLJCCCSSTXHXLZ-UHFFFAOYSA-N 1 2 416.312 4.094 20 30 HIEDLO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000570353996 947211737 /nfs/dbraw/zinc/21/17/37/947211737.db2.gz FQWYBXQCTKBRCU-UHFFFAOYSA-N 1 2 406.368 4.181 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000570749226 947344012 /nfs/dbraw/zinc/34/40/12/947344012.db2.gz NESGRNIHWXRLRW-UTKZUKDTSA-N 1 2 409.555 4.265 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000570749226 947344020 /nfs/dbraw/zinc/34/40/20/947344020.db2.gz NESGRNIHWXRLRW-UTKZUKDTSA-N 1 2 409.555 4.265 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572859381 948022452 /nfs/dbraw/zinc/02/24/52/948022452.db2.gz OVIZMYYMZGCMHR-PKOBYXMFSA-N 1 2 417.916 4.474 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572859381 948022456 /nfs/dbraw/zinc/02/24/56/948022456.db2.gz OVIZMYYMZGCMHR-PKOBYXMFSA-N 1 2 417.916 4.474 20 30 HIEDLO COc1ccc(-c2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)cs2)cc1OC ZINC000574313651 948409999 /nfs/dbraw/zinc/40/99/99/948409999.db2.gz OREMQUYMYOWIHU-UHFFFAOYSA-N 1 2 423.538 4.348 20 30 HIEDLO COc1ccc(-c2nc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)cs2)cc1OC ZINC000574313651 948410002 /nfs/dbraw/zinc/41/00/02/948410002.db2.gz OREMQUYMYOWIHU-UHFFFAOYSA-N 1 2 423.538 4.348 20 30 HIEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000574850973 948544693 /nfs/dbraw/zinc/54/46/93/948544693.db2.gz HEAWLOCRSVODIJ-UHFFFAOYSA-N 1 2 401.432 4.234 20 30 HIEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000574850973 948544702 /nfs/dbraw/zinc/54/47/02/948544702.db2.gz HEAWLOCRSVODIJ-UHFFFAOYSA-N 1 2 401.432 4.234 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000010085766 845618266 /nfs/dbraw/zinc/61/82/66/845618266.db2.gz GTFRAAJCPJYHRX-SFTDATJTSA-N 1 2 413.443 4.025 20 30 HIEDLO COc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026329229 847126342 /nfs/dbraw/zinc/12/63/42/847126342.db2.gz IHJSNRVQRGEAMZ-HNNXBMFYSA-N 1 2 406.511 4.149 20 30 HIEDLO COc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026329229 847126351 /nfs/dbraw/zinc/12/63/51/847126351.db2.gz IHJSNRVQRGEAMZ-HNNXBMFYSA-N 1 2 406.511 4.149 20 30 HIEDLO C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327304 847126391 /nfs/dbraw/zinc/12/63/91/847126391.db2.gz DZDGEHYIJGOPNQ-CYBMUJFWSA-N 1 2 412.465 4.419 20 30 HIEDLO C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327304 847126397 /nfs/dbraw/zinc/12/63/97/847126397.db2.gz DZDGEHYIJGOPNQ-CYBMUJFWSA-N 1 2 412.465 4.419 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000028956635 847483423 /nfs/dbraw/zinc/48/34/23/847483423.db2.gz JPYQDDZTNKPTBI-RUZDIDTESA-N 1 2 414.509 4.106 20 30 HIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045905969 848750120 /nfs/dbraw/zinc/75/01/20/848750120.db2.gz FCRHZILQFMKMHX-UHFFFAOYSA-N 1 2 402.863 4.324 20 30 HIEDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)cc1 ZINC000054299707 849841967 /nfs/dbraw/zinc/84/19/67/849841967.db2.gz INPYFCMXSQZLKE-HXUWFJFHSA-N 1 2 403.526 4.225 20 30 HIEDLO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)Cc1cccs1 ZINC000060942825 851254144 /nfs/dbraw/zinc/25/41/44/851254144.db2.gz RXMQJIMLAASPEV-FQEVSTJZSA-N 1 2 412.555 4.261 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)Cc1cccs1 ZINC000060942825 851254157 /nfs/dbraw/zinc/25/41/57/851254157.db2.gz RXMQJIMLAASPEV-FQEVSTJZSA-N 1 2 412.555 4.261 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1C#N ZINC000063507395 851705632 /nfs/dbraw/zinc/70/56/32/851705632.db2.gz CTHPLIUQANJYCU-QFIPXVFZSA-N 1 2 419.504 4.268 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1C#N ZINC000063507395 851705637 /nfs/dbraw/zinc/70/56/37/851705637.db2.gz CTHPLIUQANJYCU-QFIPXVFZSA-N 1 2 419.504 4.268 20 30 HIEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063753842 851753937 /nfs/dbraw/zinc/75/39/37/851753937.db2.gz IEQBLXFCCNCXAM-UHFFFAOYSA-N 1 2 417.509 4.240 20 30 HIEDLO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063753842 851753946 /nfs/dbraw/zinc/75/39/46/851753946.db2.gz IEQBLXFCCNCXAM-UHFFFAOYSA-N 1 2 417.509 4.240 20 30 HIEDLO Cc1ccc(C)c(OC2CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)c1 ZINC000064632003 851942934 /nfs/dbraw/zinc/94/29/34/851942934.db2.gz CBIKWUCFOXHPAS-UHFFFAOYSA-N 1 2 409.555 4.401 20 30 HIEDLO COCC[N@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)Cc1ccc(C#N)cc1 ZINC000065237909 852092411 /nfs/dbraw/zinc/09/24/11/852092411.db2.gz QBBDJVIJAYUMPC-UHFFFAOYSA-N 1 2 404.489 4.020 20 30 HIEDLO COCC[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)Cc1ccc(C#N)cc1 ZINC000065237909 852092419 /nfs/dbraw/zinc/09/24/19/852092419.db2.gz QBBDJVIJAYUMPC-UHFFFAOYSA-N 1 2 404.489 4.020 20 30 HIEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000065959842 852332884 /nfs/dbraw/zinc/33/28/84/852332884.db2.gz KTTSQFGONCPJJW-OAQYLSRUSA-N 1 2 403.482 4.281 20 30 HIEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000065959842 852332889 /nfs/dbraw/zinc/33/28/89/852332889.db2.gz KTTSQFGONCPJJW-OAQYLSRUSA-N 1 2 403.482 4.281 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065956442 852333042 /nfs/dbraw/zinc/33/30/42/852333042.db2.gz APFZZFYYMDBYTC-INIZCTEOSA-N 1 2 408.571 4.036 20 30 HIEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CCCO1 ZINC000437162428 862356645 /nfs/dbraw/zinc/35/66/45/862356645.db2.gz YPGVNUWPXJQLTR-IBGZPJMESA-N 1 2 402.441 4.349 20 30 HIEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CCCO1 ZINC000437162428 862356663 /nfs/dbraw/zinc/35/66/63/862356663.db2.gz YPGVNUWPXJQLTR-IBGZPJMESA-N 1 2 402.441 4.349 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1C#N ZINC000107818001 852801038 /nfs/dbraw/zinc/80/10/38/852801038.db2.gz DPKVRWHBNDVZAL-NRFANRHFSA-N 1 2 405.477 4.209 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1C#N ZINC000107818001 852801044 /nfs/dbraw/zinc/80/10/44/852801044.db2.gz DPKVRWHBNDVZAL-NRFANRHFSA-N 1 2 405.477 4.209 20 30 HIEDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1)C1(C#N)CCCCC1 ZINC000108080998 852820624 /nfs/dbraw/zinc/82/06/24/852820624.db2.gz PTNOBUWOIROIRA-GOSISDBHSA-N 1 2 404.352 4.271 20 30 HIEDLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1)C1(C#N)CCCCC1 ZINC000108080998 852820628 /nfs/dbraw/zinc/82/06/28/852820628.db2.gz PTNOBUWOIROIRA-GOSISDBHSA-N 1 2 404.352 4.271 20 30 HIEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)c(F)c1 ZINC000110304368 853085473 /nfs/dbraw/zinc/08/54/73/853085473.db2.gz FZJVKEGSMHBJGZ-UHFFFAOYSA-N 1 2 414.484 4.272 20 30 HIEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000117164731 853345884 /nfs/dbraw/zinc/34/58/84/853345884.db2.gz YDOMYRHLYIKBGK-UHFFFAOYSA-N 1 2 421.360 4.007 20 30 HIEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000117164731 853345892 /nfs/dbraw/zinc/34/58/92/853345892.db2.gz YDOMYRHLYIKBGK-UHFFFAOYSA-N 1 2 421.360 4.007 20 30 HIEDLO N#Cc1cc(Br)ccc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000302132525 854534986 /nfs/dbraw/zinc/53/49/86/854534986.db2.gz HATMIVBTVNJBJQ-UHFFFAOYSA-N 1 2 407.315 4.323 20 30 HIEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000303387060 854903616 /nfs/dbraw/zinc/90/36/16/854903616.db2.gz NYONEIFVYIADHM-PGRDOPGGSA-N 1 2 403.551 4.500 20 30 HIEDLO C#CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000303387060 854903628 /nfs/dbraw/zinc/90/36/28/854903628.db2.gz NYONEIFVYIADHM-PGRDOPGGSA-N 1 2 403.551 4.500 20 30 HIEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303686106 855132511 /nfs/dbraw/zinc/13/25/11/855132511.db2.gz NWVLPKXCACJVLU-LLVKDONJSA-N 1 2 400.338 4.162 20 30 HIEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303686106 855132512 /nfs/dbraw/zinc/13/25/12/855132512.db2.gz NWVLPKXCACJVLU-LLVKDONJSA-N 1 2 400.338 4.162 20 30 HIEDLO N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)n2)c1 ZINC000409980526 855759952 /nfs/dbraw/zinc/75/99/52/855759952.db2.gz PKXPODIXZNHNJO-UHFFFAOYSA-N 1 2 408.465 4.196 20 30 HIEDLO C[C@]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000426447693 856295700 /nfs/dbraw/zinc/29/57/00/856295700.db2.gz MRFZNHHOJLTRAV-GOSISDBHSA-N 1 2 414.349 4.066 20 30 HIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428800012 857348638 /nfs/dbraw/zinc/34/86/38/857348638.db2.gz XANGXEJMUISUPL-IBGZPJMESA-N 1 2 406.530 4.292 20 30 HIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428800012 857348642 /nfs/dbraw/zinc/34/86/42/857348642.db2.gz XANGXEJMUISUPL-IBGZPJMESA-N 1 2 406.530 4.292 20 30 HIEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428922546 857417382 /nfs/dbraw/zinc/41/73/82/857417382.db2.gz BIYNDBUSROODJA-GUYCJALGSA-N 1 2 423.460 4.429 20 30 HIEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428922546 857417388 /nfs/dbraw/zinc/41/73/88/857417388.db2.gz BIYNDBUSROODJA-GUYCJALGSA-N 1 2 423.460 4.429 20 30 HIEDLO N#Cc1c(F)cccc1C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000428983705 857444155 /nfs/dbraw/zinc/44/41/55/857444155.db2.gz GVDXTKMTHLUGIL-INIZCTEOSA-N 1 2 417.200 4.302 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000429157964 857535285 /nfs/dbraw/zinc/53/52/85/857535285.db2.gz WPQQHMZQVGDQHW-IAGOWNOFSA-N 1 2 403.960 4.245 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000429157964 857535298 /nfs/dbraw/zinc/53/52/98/857535298.db2.gz WPQQHMZQVGDQHW-IAGOWNOFSA-N 1 2 403.960 4.245 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430919845 858370737 /nfs/dbraw/zinc/37/07/37/858370737.db2.gz SDUVZCZYZSLFEW-HKUYNNGSSA-N 1 2 423.582 4.159 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430919845 858370746 /nfs/dbraw/zinc/37/07/46/858370746.db2.gz SDUVZCZYZSLFEW-HKUYNNGSSA-N 1 2 423.582 4.159 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000430999514 858399176 /nfs/dbraw/zinc/39/91/76/858399176.db2.gz LGPFWVSSVRLWHH-IBGZPJMESA-N 1 2 409.555 4.349 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000430999514 858399182 /nfs/dbraw/zinc/39/91/82/858399182.db2.gz LGPFWVSSVRLWHH-IBGZPJMESA-N 1 2 409.555 4.349 20 30 HIEDLO C=CCC[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000434288010 860253910 /nfs/dbraw/zinc/25/39/10/860253910.db2.gz PMTVGSFDNPHRFL-QFBILLFUSA-N 1 2 413.484 4.075 20 30 HIEDLO N#Cc1cccc(C2(C(=O)N[C@H]3CCC[N@@H+](Cc4ccc(F)cc4Cl)C3)CC2)c1 ZINC000434998227 860590783 /nfs/dbraw/zinc/59/07/83/860590783.db2.gz CJOLVPOMVOANAA-FQEVSTJZSA-N 1 2 411.908 4.163 20 30 HIEDLO N#Cc1cccc(C2(C(=O)N[C@H]3CCC[N@H+](Cc4ccc(F)cc4Cl)C3)CC2)c1 ZINC000434998227 860590786 /nfs/dbraw/zinc/59/07/86/860590786.db2.gz CJOLVPOMVOANAA-FQEVSTJZSA-N 1 2 411.908 4.163 20 30 HIEDLO O=C(CCc1ccccc1)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000435001999 860592655 /nfs/dbraw/zinc/59/26/55/860592655.db2.gz YJZGVPIKPVITBU-UHFFFAOYSA-N 1 2 414.471 4.224 20 30 HIEDLO O=C(CCc1ccccc1)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000435001999 860592660 /nfs/dbraw/zinc/59/26/60/860592660.db2.gz YJZGVPIKPVITBU-UHFFFAOYSA-N 1 2 414.471 4.224 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)cc1 ZINC000438266133 863733155 /nfs/dbraw/zinc/73/31/55/863733155.db2.gz KNIKCCBICZQDBR-UHFFFAOYSA-N 1 2 402.420 4.013 20 30 HIEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1C(F)(F)F ZINC000438637370 864071274 /nfs/dbraw/zinc/07/12/74/864071274.db2.gz SVIHBKPSNIIONT-UHFFFAOYSA-N 1 2 403.408 4.284 20 30 HIEDLO N#Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C(F)(F)F ZINC000438649718 864089052 /nfs/dbraw/zinc/08/90/52/864089052.db2.gz VUOGZLNLNYISDV-UHFFFAOYSA-N 1 2 403.339 4.224 20 30 HIEDLO CCN(C(=O)c1ccc(C#N)cc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000438835492 864329865 /nfs/dbraw/zinc/32/98/65/864329865.db2.gz NNJBIQGUWJWLCX-UHFFFAOYSA-N 1 2 405.546 4.220 20 30 HIEDLO N#Cc1c(Br)cccc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000439973314 865265960 /nfs/dbraw/zinc/26/59/60/865265960.db2.gz RWVABKOCZWFVKI-UHFFFAOYSA-N 1 2 407.315 4.323 20 30 HIEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441184707 866259057 /nfs/dbraw/zinc/25/90/57/866259057.db2.gz PYCVMIHCFAGJGC-MRXNPFEDSA-N 1 2 407.905 4.140 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442199893 867221195 /nfs/dbraw/zinc/22/11/95/867221195.db2.gz KDBVQWXFWGNQQW-UHFFFAOYSA-N 1 2 409.412 4.160 20 30 HIEDLO COc1cc(C[NH+]2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)ccc1C#N ZINC000442886502 867719404 /nfs/dbraw/zinc/71/94/04/867719404.db2.gz SKJGTYMRWYHIFM-UHFFFAOYSA-N 1 2 422.529 4.147 20 30 HIEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000443115204 867826016 /nfs/dbraw/zinc/82/60/16/867826016.db2.gz MLKRQHUBRBTCLY-UYAOXDASSA-N 1 2 401.869 4.010 20 30 HIEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000443115204 867826022 /nfs/dbraw/zinc/82/60/22/867826022.db2.gz MLKRQHUBRBTCLY-UYAOXDASSA-N 1 2 401.869 4.010 20 30 HIEDLO Cc1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443619277 868185934 /nfs/dbraw/zinc/18/59/34/868185934.db2.gz BBTYZJXKDHWPSC-UHFFFAOYSA-N 1 2 417.944 4.295 20 30 HIEDLO Cc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443619277 868185957 /nfs/dbraw/zinc/18/59/57/868185957.db2.gz BBTYZJXKDHWPSC-UHFFFAOYSA-N 1 2 417.944 4.295 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443652013 868247997 /nfs/dbraw/zinc/24/79/97/868247997.db2.gz LFNJJTNAYXZYPA-LPHOPBHVSA-N 1 2 415.896 4.268 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443652013 868248015 /nfs/dbraw/zinc/24/80/15/868248015.db2.gz LFNJJTNAYXZYPA-LPHOPBHVSA-N 1 2 415.896 4.268 20 30 HIEDLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)o2)cc1C ZINC000468275963 882197418 /nfs/dbraw/zinc/19/74/18/882197418.db2.gz GIEKFBMAUMHTET-HXUWFJFHSA-N 1 2 415.541 4.494 20 30 HIEDLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)o2)cc1C ZINC000468275963 882197427 /nfs/dbraw/zinc/19/74/27/882197427.db2.gz GIEKFBMAUMHTET-HXUWFJFHSA-N 1 2 415.541 4.494 20 30 HIEDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(C)n1-c1nccs1 ZINC000444243843 868692224 /nfs/dbraw/zinc/69/22/24/868692224.db2.gz INTZRBUITPUOFH-UHFFFAOYSA-N 1 2 420.538 4.148 20 30 HIEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)c(C#N)c1C ZINC000444677428 868954510 /nfs/dbraw/zinc/95/45/10/868954510.db2.gz PRGJATZZAXODMQ-NSHDSACASA-N 1 2 403.458 4.271 20 30 HIEDLO Cc1cccc2nc(C3CC[NH+]([C@H]4CCN(c5sccc5C#N)C4=O)CC3)oc21 ZINC000444768333 868993958 /nfs/dbraw/zinc/99/39/58/868993958.db2.gz WHHXMVCXWIRIMR-SFHVURJKSA-N 1 2 406.511 4.054 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000444900369 869088499 /nfs/dbraw/zinc/08/84/99/869088499.db2.gz RUGRALVQOSRBPS-SFHVURJKSA-N 1 2 401.470 4.496 20 30 HIEDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000468544127 882582893 /nfs/dbraw/zinc/58/28/93/882582893.db2.gz UMKBESFOJAHOHD-IBGZPJMESA-N 1 2 418.566 4.473 20 30 HIEDLO Cc1csc(C2([NH2+]CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CCC2)n1 ZINC000460341191 872953002 /nfs/dbraw/zinc/95/30/02/872953002.db2.gz ANJDPSCPIPSLSQ-UHFFFAOYSA-N 1 2 419.554 4.338 20 30 HIEDLO COc1ccc(F)cc1C[NH+]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000461463685 874522818 /nfs/dbraw/zinc/52/28/18/874522818.db2.gz LFEFZZNKBHZYQN-UHFFFAOYSA-N 1 2 410.880 4.230 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000462587669 875705060 /nfs/dbraw/zinc/70/50/60/875705060.db2.gz FAPMSQMEXDFKSQ-LPLGYCIKSA-N 1 2 401.432 4.031 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000462587669 875705079 /nfs/dbraw/zinc/70/50/79/875705079.db2.gz FAPMSQMEXDFKSQ-LPLGYCIKSA-N 1 2 401.432 4.031 20 30 HIEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000462908131 875932396 /nfs/dbraw/zinc/93/23/96/875932396.db2.gz WAOCHTVMMJLEFV-ZDUSSCGKSA-N 1 2 405.727 4.252 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000463418975 876473518 /nfs/dbraw/zinc/47/35/18/876473518.db2.gz JGXJUTRBTVGOGZ-IBGZPJMESA-N 1 2 403.526 4.192 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000463418975 876473528 /nfs/dbraw/zinc/47/35/28/876473528.db2.gz JGXJUTRBTVGOGZ-IBGZPJMESA-N 1 2 403.526 4.192 20 30 HIEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000464497151 877716116 /nfs/dbraw/zinc/71/61/16/877716116.db2.gz XVGXTUSNWBUERA-MSOLQXFVSA-N 1 2 417.575 4.073 20 30 HIEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000464497151 877716129 /nfs/dbraw/zinc/71/61/29/877716129.db2.gz XVGXTUSNWBUERA-MSOLQXFVSA-N 1 2 417.575 4.073 20 30 HIEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cn2c1 ZINC000464937366 878269549 /nfs/dbraw/zinc/26/95/49/878269549.db2.gz KFVNBGSNSWFLHL-RTWAWAEBSA-N 1 2 404.539 4.174 20 30 HIEDLO C=CCc1cc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc(OC)c1OC ZINC000464975399 878318097 /nfs/dbraw/zinc/31/80/97/878318097.db2.gz XXYZAMJPQFPXMH-UHFFFAOYSA-N 1 2 423.557 4.206 20 30 HIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000464980846 878328342 /nfs/dbraw/zinc/32/83/42/878328342.db2.gz UUTIQCDVNSCJLJ-UHFFFAOYSA-N 1 2 420.557 4.267 20 30 HIEDLO N#CCCCOc1cccnc1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000466606797 880376339 /nfs/dbraw/zinc/37/63/39/880376339.db2.gz BGBVTFUGHLDYCS-UHFFFAOYSA-N 1 2 414.469 4.323 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(OC(C)(C)C)CC2)c1C#N ZINC000469165941 883264666 /nfs/dbraw/zinc/26/46/66/883264666.db2.gz ZJZZSTMONWDNIF-UHFFFAOYSA-N 1 2 400.567 4.310 20 30 HIEDLO Cc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)nn1-c1cccc(C#N)c1 ZINC000503635926 912737061 /nfs/dbraw/zinc/73/70/61/912737061.db2.gz GKUWQTYRFGIDGK-DEOSSOPVSA-N 1 2 424.508 4.037 20 30 HIEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000470211293 884531648 /nfs/dbraw/zinc/53/16/48/884531648.db2.gz HHDGPIOFYRDHNK-NRFANRHFSA-N 1 2 421.342 4.380 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471984292 886812114 /nfs/dbraw/zinc/81/21/14/886812114.db2.gz FXFYTWAQSVKUIV-IEBWSBKVSA-N 1 2 406.383 4.072 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471984292 886812115 /nfs/dbraw/zinc/81/21/15/886812115.db2.gz FXFYTWAQSVKUIV-IEBWSBKVSA-N 1 2 406.383 4.072 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000472305331 887130056 /nfs/dbraw/zinc/13/00/56/887130056.db2.gz KBJVHSGDNXBRIZ-PKOBYXMFSA-N 1 2 406.383 4.072 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000472305331 887130063 /nfs/dbraw/zinc/13/00/63/887130063.db2.gz KBJVHSGDNXBRIZ-PKOBYXMFSA-N 1 2 406.383 4.072 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473160358 887940309 /nfs/dbraw/zinc/94/03/09/887940309.db2.gz GCVOOVNGOGXQTM-HXOBKFHXSA-N 1 2 407.539 4.151 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473160358 887940310 /nfs/dbraw/zinc/94/03/10/887940310.db2.gz GCVOOVNGOGXQTM-HXOBKFHXSA-N 1 2 407.539 4.151 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1C#N ZINC000473178769 887957927 /nfs/dbraw/zinc/95/79/27/887957927.db2.gz QXZYUUHJBGYIDP-VWLOTQADSA-N 1 2 418.541 4.162 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1C#N ZINC000473178769 887957955 /nfs/dbraw/zinc/95/79/55/887957955.db2.gz QXZYUUHJBGYIDP-VWLOTQADSA-N 1 2 418.541 4.162 20 30 HIEDLO Cn1c(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000473220947 887993728 /nfs/dbraw/zinc/99/37/28/887993728.db2.gz DWISOGHUNGBVSL-UHFFFAOYSA-N 1 2 407.905 4.051 20 30 HIEDLO Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000473639587 888385231 /nfs/dbraw/zinc/38/52/31/888385231.db2.gz FPLUHVXHXJLVFM-UHFFFAOYSA-N 1 2 410.521 4.250 20 30 HIEDLO C=CCC[C@H](NC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000474546858 889423011 /nfs/dbraw/zinc/42/30/11/889423011.db2.gz YZUJMBYZHFBCDI-SFTDATJTSA-N 1 2 411.550 4.081 20 30 HIEDLO C=CCC[C@H](NC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000474546858 889423019 /nfs/dbraw/zinc/42/30/19/889423019.db2.gz YZUJMBYZHFBCDI-SFTDATJTSA-N 1 2 411.550 4.081 20 30 HIEDLO C=CCC[C@@H](NC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000474546856 889423107 /nfs/dbraw/zinc/42/31/07/889423107.db2.gz YZUJMBYZHFBCDI-NHCUHLMSSA-N 1 2 411.550 4.081 20 30 HIEDLO C=CCC[C@@H](NC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000474546856 889423111 /nfs/dbraw/zinc/42/31/11/889423111.db2.gz YZUJMBYZHFBCDI-NHCUHLMSSA-N 1 2 411.550 4.081 20 30 HIEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000475343665 890265659 /nfs/dbraw/zinc/26/56/59/890265659.db2.gz RDKLXXNHQOZLRD-HXUWFJFHSA-N 1 2 409.946 4.241 20 30 HIEDLO CSc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000475974271 890892250 /nfs/dbraw/zinc/89/22/50/890892250.db2.gz CAOARSAOXLSHKN-UHFFFAOYSA-N 1 2 400.935 4.283 20 30 HIEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC000505049475 913790370 /nfs/dbraw/zinc/79/03/70/913790370.db2.gz AZWIPKHWONHEMJ-UHFFFAOYSA-N 1 2 419.525 4.313 20 30 HIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1C ZINC000479187301 894455146 /nfs/dbraw/zinc/45/51/46/894455146.db2.gz LOEIPFLBIGACPW-UHFFFAOYSA-N 1 2 422.529 4.110 20 30 HIEDLO C=CCOc1cccc(NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000480263616 895672240 /nfs/dbraw/zinc/67/22/40/895672240.db2.gz ZRGQGSIBANESSC-HXUWFJFHSA-N 1 2 409.530 4.006 20 30 HIEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000481415712 896819562 /nfs/dbraw/zinc/81/95/62/896819562.db2.gz RJCPYWLXXKUGFW-VWLOTQADSA-N 1 2 423.520 4.199 20 30 HIEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000505469757 914144121 /nfs/dbraw/zinc/14/41/21/914144121.db2.gz UNBLPINUUYTVOS-DEOSSOPVSA-N 1 2 415.468 4.063 20 30 HIEDLO COc1cc(OC)cc([C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c2nccn2C)c1 ZINC000481914176 897297933 /nfs/dbraw/zinc/29/79/33/897297933.db2.gz RXQCIGZOCYIGTD-DNQXCXABSA-N 1 2 416.525 4.456 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000505550232 914252425 /nfs/dbraw/zinc/25/24/25/914252425.db2.gz MTCBCCSKFAPSGU-QHCPKHFHSA-N 1 2 415.468 4.063 20 30 HIEDLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000482863315 898474396 /nfs/dbraw/zinc/47/43/96/898474396.db2.gz ZHJOSAUFQWENIC-INIZCTEOSA-N 1 2 406.461 4.276 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000505624853 914325861 /nfs/dbraw/zinc/32/58/61/914325861.db2.gz XCQVETZMPINBCJ-UHFFFAOYSA-N 1 2 424.548 4.218 20 30 HIEDLO CCc1ccc([C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCO2)cc1 ZINC000484356104 899904524 /nfs/dbraw/zinc/90/45/24/899904524.db2.gz TYSSRCUDEUNKTL-HXUWFJFHSA-N 1 2 409.555 4.073 20 30 HIEDLO CCc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCO2)cc1 ZINC000484356104 899904535 /nfs/dbraw/zinc/90/45/35/899904535.db2.gz TYSSRCUDEUNKTL-HXUWFJFHSA-N 1 2 409.555 4.073 20 30 HIEDLO COc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1OCCCC#N ZINC000505847533 914496451 /nfs/dbraw/zinc/49/64/51/914496451.db2.gz AYQYMOQDKQSEBO-JXMROGBWSA-N 1 2 405.542 4.209 20 30 HIEDLO N#Cc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1Br ZINC000488005160 902524925 /nfs/dbraw/zinc/52/49/25/902524925.db2.gz ICGDIABKNNTVPW-UHFFFAOYSA-N 1 2 416.323 4.242 20 30 HIEDLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1ccc(C#N)cc1 ZINC000506130664 914815866 /nfs/dbraw/zinc/81/58/66/914815866.db2.gz JQEAQIHSRAVPQP-LJQANCHMSA-N 1 2 420.563 4.491 20 30 HIEDLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1ccc(C#N)cc1 ZINC000506130664 914815869 /nfs/dbraw/zinc/81/58/69/914815869.db2.gz JQEAQIHSRAVPQP-LJQANCHMSA-N 1 2 420.563 4.491 20 30 HIEDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OC(F)F ZINC000506164067 914830099 /nfs/dbraw/zinc/83/00/99/914830099.db2.gz VKZAFPBSUZSEHT-UHFFFAOYSA-N 1 2 423.847 4.282 20 30 HIEDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OC(F)F ZINC000506164067 914830101 /nfs/dbraw/zinc/83/01/01/914830101.db2.gz VKZAFPBSUZSEHT-UHFFFAOYSA-N 1 2 423.847 4.282 20 30 HIEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000494939282 906111252 /nfs/dbraw/zinc/11/12/52/906111252.db2.gz JOIAFIHYGGWRKB-UHFFFAOYSA-N 1 2 401.495 4.145 20 30 HIEDLO N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000512660237 921278347 /nfs/dbraw/zinc/27/83/47/921278347.db2.gz FEQCKJHDOGFNSN-HXUWFJFHSA-N 1 2 414.534 4.254 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273542 907810056 /nfs/dbraw/zinc/81/00/56/907810056.db2.gz CUIRUAMPMRAGKH-UXHICEINSA-N 1 2 405.901 4.258 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273542 907810062 /nfs/dbraw/zinc/81/00/62/907810062.db2.gz CUIRUAMPMRAGKH-UXHICEINSA-N 1 2 405.901 4.258 20 30 HIEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000499175156 908528819 /nfs/dbraw/zinc/52/88/19/908528819.db2.gz YQZPBJFJAPTJBX-MOPGFXCFSA-N 1 2 419.312 4.058 20 30 HIEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000499175156 908528836 /nfs/dbraw/zinc/52/88/36/908528836.db2.gz YQZPBJFJAPTJBX-MOPGFXCFSA-N 1 2 419.312 4.058 20 30 HIEDLO COc1cc(C#N)ccc1CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000499318358 908692271 /nfs/dbraw/zinc/69/22/71/908692271.db2.gz WZLVJRZIYSNQIM-UHFFFAOYSA-N 1 2 419.554 4.426 20 30 HIEDLO C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000499944783 909049643 /nfs/dbraw/zinc/04/96/43/909049643.db2.gz IROBVVYSEKWXHV-XUZZJYLKSA-N 1 2 411.590 4.358 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)N[C@@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000502494793 911496240 /nfs/dbraw/zinc/49/62/40/911496240.db2.gz KUXRSSYNBXCXPW-HSZRJFAPSA-N 1 2 414.534 4.010 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)N[C@@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000502494793 911496257 /nfs/dbraw/zinc/49/62/57/911496257.db2.gz KUXRSSYNBXCXPW-HSZRJFAPSA-N 1 2 414.534 4.010 20 30 HIEDLO Cc1cc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n(-c2ccc(C)cc2)n1 ZINC000502512732 911515964 /nfs/dbraw/zinc/51/59/64/911515964.db2.gz VCTXVCBYKRRBJL-UHFFFAOYSA-N 1 2 411.509 4.089 20 30 HIEDLO Cc1cc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n(-c2ccc(C)cc2)n1 ZINC000502512732 911515996 /nfs/dbraw/zinc/51/59/96/911515996.db2.gz VCTXVCBYKRRBJL-UHFFFAOYSA-N 1 2 411.509 4.089 20 30 HIEDLO N#CCCCCNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000506506783 915129427 /nfs/dbraw/zinc/12/94/27/915129427.db2.gz XDHFBOZVKUDDDP-QFIPXVFZSA-N 1 2 410.949 4.450 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000513441643 921809775 /nfs/dbraw/zinc/80/97/75/921809775.db2.gz DGDYZJISWOOGHU-UHFFFAOYSA-N 1 2 417.534 4.157 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507234285 915992317 /nfs/dbraw/zinc/99/23/17/915992317.db2.gz PZSUPOMQVISSGW-KKSFZXQISA-N 1 2 423.582 4.461 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507234285 915992335 /nfs/dbraw/zinc/99/23/35/915992335.db2.gz PZSUPOMQVISSGW-KKSFZXQISA-N 1 2 423.582 4.461 20 30 HIEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)c(C)c1 ZINC000507440620 916210951 /nfs/dbraw/zinc/21/09/51/916210951.db2.gz IUZPEPCFMZQRJG-UHFFFAOYSA-N 1 2 415.541 4.460 20 30 HIEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)c(C)c1 ZINC000507440620 916210970 /nfs/dbraw/zinc/21/09/70/916210970.db2.gz IUZPEPCFMZQRJG-UHFFFAOYSA-N 1 2 415.541 4.460 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC000508333921 917137071 /nfs/dbraw/zinc/13/70/71/917137071.db2.gz OLAAJSAXFGXGRF-IRLDBZIGSA-N 1 2 405.542 4.206 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC000508333921 917137081 /nfs/dbraw/zinc/13/70/81/917137081.db2.gz OLAAJSAXFGXGRF-IRLDBZIGSA-N 1 2 405.542 4.206 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC000508333920 917137657 /nfs/dbraw/zinc/13/76/57/917137657.db2.gz OLAAJSAXFGXGRF-IFMALSPDSA-N 1 2 405.542 4.206 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC000508333920 917137662 /nfs/dbraw/zinc/13/76/62/917137662.db2.gz OLAAJSAXFGXGRF-IFMALSPDSA-N 1 2 405.542 4.206 20 30 HIEDLO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508744628 917501930 /nfs/dbraw/zinc/50/19/30/917501930.db2.gz CPEQSPIESPQQRX-HXUWFJFHSA-N 1 2 421.545 4.136 20 30 HIEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000509828307 918429377 /nfs/dbraw/zinc/42/93/77/918429377.db2.gz STSGSUCRZHLUOT-CQSZACIVSA-N 1 2 419.884 4.097 20 30 HIEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000509828307 918429385 /nfs/dbraw/zinc/42/93/85/918429385.db2.gz STSGSUCRZHLUOT-CQSZACIVSA-N 1 2 419.884 4.097 20 30 HIEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)c1 ZINC000510520348 918966350 /nfs/dbraw/zinc/96/63/50/918966350.db2.gz KGOUCQQIGMDPOC-UHFFFAOYSA-N 1 2 403.385 4.111 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC([C@H](F)c3ccccc3F)CC2)C1=O ZINC000511110980 919722799 /nfs/dbraw/zinc/72/27/99/919722799.db2.gz WRDWWSSVANOUOK-MOPGFXCFSA-N 1 2 401.482 4.287 20 30 HIEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(-c2ccccc2Cl)n1 ZINC000512235158 920989263 /nfs/dbraw/zinc/98/92/63/920989263.db2.gz AJYMBQJZUUJSBG-UHFFFAOYSA-N 1 2 409.896 4.073 20 30 HIEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000513716536 922035725 /nfs/dbraw/zinc/03/57/25/922035725.db2.gz CWHGZKMTTRVNLP-AWEZNQCLSA-N 1 2 419.884 4.239 20 30 HIEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000513716536 922035738 /nfs/dbraw/zinc/03/57/38/922035738.db2.gz CWHGZKMTTRVNLP-AWEZNQCLSA-N 1 2 419.884 4.239 20 30 HIEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000516577067 923799384 /nfs/dbraw/zinc/79/93/84/923799384.db2.gz DQPARTIGIJUXJB-UHFFFAOYSA-N 1 2 409.433 4.336 20 30 HIEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000519202141 927825621 /nfs/dbraw/zinc/82/56/21/927825621.db2.gz ASCFDELJNHZNRY-UHFFFAOYSA-N 1 2 403.404 4.059 20 30 HIEDLO CC(C)[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520761859 928805201 /nfs/dbraw/zinc/80/52/01/928805201.db2.gz IWZPKNQGPWAIRJ-GLDPYIMESA-N 1 2 421.541 4.210 20 30 HIEDLO CC(C)[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520761859 928805206 /nfs/dbraw/zinc/80/52/06/928805206.db2.gz IWZPKNQGPWAIRJ-GLDPYIMESA-N 1 2 421.541 4.210 20 30 HIEDLO C[C@H](c1cccc(NC(=O)CCCCOc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000521076795 928976575 /nfs/dbraw/zinc/97/65/75/928976575.db2.gz DXIVNSKXBAKYMT-LJQANCHMSA-N 1 2 407.514 4.139 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)c1C#N ZINC000533241307 931816637 /nfs/dbraw/zinc/81/66/37/931816637.db2.gz WKVOFJHQLFMDAD-UHFFFAOYSA-N 1 2 420.488 4.360 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)c1C#N ZINC000533241307 931816639 /nfs/dbraw/zinc/81/66/39/931816639.db2.gz WKVOFJHQLFMDAD-UHFFFAOYSA-N 1 2 420.488 4.360 20 30 HIEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000533296125 931831612 /nfs/dbraw/zinc/83/16/12/931831612.db2.gz FEYLJQPRJAXKRG-OWYJLGKBSA-N 1 2 413.406 4.122 20 30 HIEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000533296125 931831613 /nfs/dbraw/zinc/83/16/13/931831613.db2.gz FEYLJQPRJAXKRG-OWYJLGKBSA-N 1 2 413.406 4.122 20 30 HIEDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C2 ZINC000533409522 931861173 /nfs/dbraw/zinc/86/11/73/931861173.db2.gz YATBVYKJADQDJM-QGZVFWFLSA-N 1 2 409.555 4.476 20 30 HIEDLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C2 ZINC000533409522 931861176 /nfs/dbraw/zinc/86/11/76/931861176.db2.gz YATBVYKJADQDJM-QGZVFWFLSA-N 1 2 409.555 4.476 20 30 HIEDLO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000533632035 931936317 /nfs/dbraw/zinc/93/63/17/931936317.db2.gz VUWCFNPXLBGLPI-MRFFXTKBSA-N 1 2 400.885 4.156 20 30 HIEDLO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000533632035 931936324 /nfs/dbraw/zinc/93/63/24/931936324.db2.gz VUWCFNPXLBGLPI-MRFFXTKBSA-N 1 2 400.885 4.156 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534421784 932440339 /nfs/dbraw/zinc/44/03/39/932440339.db2.gz ZJRDBDCSYXQUSX-PMACEKPBSA-N 1 2 415.896 4.070 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534421784 932440348 /nfs/dbraw/zinc/44/03/48/932440348.db2.gz ZJRDBDCSYXQUSX-PMACEKPBSA-N 1 2 415.896 4.070 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573175 933248055 /nfs/dbraw/zinc/24/80/55/933248055.db2.gz GRZZKYXMKPHPCZ-MRXNPFEDSA-N 1 2 423.586 4.187 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000535958850 933523615 /nfs/dbraw/zinc/52/36/15/933523615.db2.gz NCCBLHIZOLTQDG-LJQANCHMSA-N 1 2 402.523 4.214 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538022642 938466606 /nfs/dbraw/zinc/46/66/06/938466606.db2.gz YWSUMSGXNXRWJI-LEWJYISDSA-N 1 2 411.908 4.334 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538022642 938466612 /nfs/dbraw/zinc/46/66/12/938466612.db2.gz YWSUMSGXNXRWJI-LEWJYISDSA-N 1 2 411.908 4.334 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)cc1 ZINC000538280030 938582343 /nfs/dbraw/zinc/58/23/43/938582343.db2.gz RWPDOLAIMJOUGK-OAHLLOKOSA-N 1 2 403.885 4.475 20 30 HIEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccc(F)cc2F)c1 ZINC000538709420 938687401 /nfs/dbraw/zinc/68/74/01/938687401.db2.gz IKBJVTXLIWKOHI-JOCHJYFZSA-N 1 2 412.461 4.119 20 30 HIEDLO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(-c4[nH+]cc5n4CCCC5)cc3)n2)c1 ZINC000539742160 938918104 /nfs/dbraw/zinc/91/81/04/938918104.db2.gz UFEDABFMKZRCLV-UHFFFAOYSA-N 1 2 408.465 4.196 20 30 HIEDLO N#Cc1ccccc1-c1ccc(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000540310195 939189808 /nfs/dbraw/zinc/18/98/08/939189808.db2.gz PVFASZVEJLNOFJ-UHFFFAOYSA-N 1 2 421.504 4.469 20 30 HIEDLO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1nccs1 ZINC000541596237 939563026 /nfs/dbraw/zinc/56/30/26/939563026.db2.gz NNAKCWPMQDEKEU-LJQANCHMSA-N 1 2 423.542 4.110 20 30 HIEDLO COC(=O)c1cccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1C#N ZINC000542122366 939721218 /nfs/dbraw/zinc/72/12/18/939721218.db2.gz AMYALLMLPWAWKA-JOCHJYFZSA-N 1 2 405.885 4.467 20 30 HIEDLO C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542975495 939889658 /nfs/dbraw/zinc/88/96/58/939889658.db2.gz JFWKCOCIFFGRGO-JPYJTQIMSA-N 1 2 411.509 4.259 20 30 HIEDLO Cc1ccc(C2CC[NH+](CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)cn1 ZINC000543061407 939913897 /nfs/dbraw/zinc/91/38/97/939913897.db2.gz GYBLYSIBHVXIOW-UHFFFAOYSA-N 1 2 408.571 4.410 20 30 HIEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cccc(C#N)c2F)c2ccc(F)cc2)c1 ZINC000543151813 939975514 /nfs/dbraw/zinc/97/55/14/939975514.db2.gz MEZHWZPQWKOYGQ-QFIPXVFZSA-N 1 2 412.461 4.119 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000544516640 940468641 /nfs/dbraw/zinc/46/86/41/940468641.db2.gz HEDKPRXWZQGMER-GJZGRUSLSA-N 1 2 414.506 4.191 20 30 HIEDLO COc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000545220294 940556820 /nfs/dbraw/zinc/55/68/20/940556820.db2.gz WOVFRDRHVNLWHO-UHFFFAOYSA-N 1 2 404.426 4.256 20 30 HIEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)C1=O ZINC000549446134 941190787 /nfs/dbraw/zinc/19/07/87/941190787.db2.gz LOUIGUIUIMASHE-RISCZKNCSA-N 1 2 412.349 4.304 20 30 HIEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)C1=O ZINC000549446134 941190790 /nfs/dbraw/zinc/19/07/90/941190790.db2.gz LOUIGUIUIMASHE-RISCZKNCSA-N 1 2 412.349 4.304 20 30 HIEDLO C[C@@H]1C[NH+](Cc2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)C[C@@H](C)O1 ZINC000554310506 942099140 /nfs/dbraw/zinc/09/91/40/942099140.db2.gz OSJZAQJABYAUOD-SPYBWZPUSA-N 1 2 417.431 4.200 20 30 HIEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556711011 942929856 /nfs/dbraw/zinc/92/98/56/942929856.db2.gz CFEFJHKAFVUQLF-AZUAARDMSA-N 1 2 400.885 4.008 20 30 HIEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556711011 942929858 /nfs/dbraw/zinc/92/98/58/942929858.db2.gz CFEFJHKAFVUQLF-AZUAARDMSA-N 1 2 400.885 4.008 20 30 HIEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000557042963 943003997 /nfs/dbraw/zinc/00/39/97/943003997.db2.gz YMBUPUJKGVOQOB-LLVKDONJSA-N 1 2 402.130 4.213 20 30 HIEDLO N#Cc1cc(Br)ccc1C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000558116359 943384299 /nfs/dbraw/zinc/38/42/99/943384299.db2.gz XOLWKAJDXPYFNZ-HXUWFJFHSA-N 1 2 408.299 4.014 20 30 HIEDLO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000558988137 943790011 /nfs/dbraw/zinc/79/00/11/943790011.db2.gz RJBIYOVEDMUMHM-HSZRJFAPSA-N 1 2 416.573 4.113 20 30 HIEDLO Cc1cc(C#N)cnc1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000559565071 944006480 /nfs/dbraw/zinc/00/64/80/944006480.db2.gz YBWOAHKQVCGJOR-UHFFFAOYSA-N 1 2 407.477 4.104 20 30 HIEDLO N#Cc1cc(Br)ccc1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000561875194 944832229 /nfs/dbraw/zinc/83/22/29/944832229.db2.gz FCZGAOMOUWBRJJ-UHFFFAOYSA-N 1 2 407.315 4.356 20 30 HIEDLO N#Cc1cc(Br)ccc1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000561875194 944832235 /nfs/dbraw/zinc/83/22/35/944832235.db2.gz FCZGAOMOUWBRJJ-UHFFFAOYSA-N 1 2 407.315 4.356 20 30 HIEDLO C=CC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1cc(Br)ccc1F ZINC000564297032 945504568 /nfs/dbraw/zinc/50/45/68/945504568.db2.gz IMQSISQVIWLXAL-UHFFFAOYSA-N 1 2 410.283 4.499 20 30 HIEDLO C=CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1cc(Br)ccc1F ZINC000564297032 945504585 /nfs/dbraw/zinc/50/45/85/945504585.db2.gz IMQSISQVIWLXAL-UHFFFAOYSA-N 1 2 410.283 4.499 20 30 HIEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)s1 ZINC000569156124 946826289 /nfs/dbraw/zinc/82/62/89/946826289.db2.gz QYIMQDNKTGCRKU-MRXNPFEDSA-N 1 2 419.554 4.282 20 30 HIEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000436078690 861359485 /nfs/dbraw/zinc/35/94/85/861359485.db2.gz AUBGKYHJBSAVBF-UHFFFAOYSA-N 1 2 409.486 4.285 20 30 HIEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436164807 861466258 /nfs/dbraw/zinc/46/62/58/861466258.db2.gz LENXOPRFEBFHHF-HSZRJFAPSA-N 1 2 408.502 4.087 20 30 HIEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1OC ZINC000012814607 845892415 /nfs/dbraw/zinc/89/24/15/845892415.db2.gz NVTOWHCRIQOUAE-UHFFFAOYSA-N 1 2 424.545 4.179 20 30 HIEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1OC ZINC000012814607 845892416 /nfs/dbraw/zinc/89/24/16/845892416.db2.gz NVTOWHCRIQOUAE-UHFFFAOYSA-N 1 2 424.545 4.179 20 30 HIEDLO COc1ccc(-c2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000022778844 846619184 /nfs/dbraw/zinc/61/91/84/846619184.db2.gz HAYCNDMQTBDLPP-UHFFFAOYSA-N 1 2 404.539 4.008 20 30 HIEDLO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325535 847126869 /nfs/dbraw/zinc/12/68/69/847126869.db2.gz ZBDLQORGCMOHEN-UHFFFAOYSA-N 1 2 423.494 4.127 20 30 HIEDLO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325535 847126877 /nfs/dbraw/zinc/12/68/77/847126877.db2.gz ZBDLQORGCMOHEN-UHFFFAOYSA-N 1 2 423.494 4.127 20 30 HIEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000041537006 848227684 /nfs/dbraw/zinc/22/76/84/848227684.db2.gz OTAOWSMBZOMVKV-INIZCTEOSA-N 1 2 415.434 4.394 20 30 HIEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000043783074 848464903 /nfs/dbraw/zinc/46/49/03/848464903.db2.gz CCWSPMLEPCNHTE-UHFFFAOYSA-N 1 2 418.375 4.027 20 30 HIEDLO COc1ccccc1CN(C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000051372920 849463719 /nfs/dbraw/zinc/46/37/19/849463719.db2.gz IXNHXJQZMDSZPG-UHFFFAOYSA-N 1 2 402.564 4.104 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(OC)cc1 ZINC000054271923 849837279 /nfs/dbraw/zinc/83/72/79/849837279.db2.gz JVXDAADGXPKXHN-UHFFFAOYSA-N 1 2 404.514 4.124 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(OC)cc1 ZINC000054271923 849837286 /nfs/dbraw/zinc/83/72/86/849837286.db2.gz JVXDAADGXPKXHN-UHFFFAOYSA-N 1 2 404.514 4.124 20 30 HIEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)CC1 ZINC000057273920 850596695 /nfs/dbraw/zinc/59/66/95/850596695.db2.gz BXKPJGWRRPUUEY-UHFFFAOYSA-N 1 2 410.521 4.225 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000063299845 851654950 /nfs/dbraw/zinc/65/49/50/851654950.db2.gz SPCLHDFGKAMABH-XMMPIXPASA-N 1 2 403.526 4.309 20 30 HIEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000063299845 851654957 /nfs/dbraw/zinc/65/49/57/851654957.db2.gz SPCLHDFGKAMABH-XMMPIXPASA-N 1 2 403.526 4.309 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000063300604 851654985 /nfs/dbraw/zinc/65/49/85/851654985.db2.gz HSMWRLVSXHWHFV-UHFFFAOYSA-N 1 2 405.832 4.440 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000063300604 851654988 /nfs/dbraw/zinc/65/49/88/851654988.db2.gz HSMWRLVSXHWHFV-UHFFFAOYSA-N 1 2 405.832 4.440 20 30 HIEDLO N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)o1 ZINC000071949547 852442680 /nfs/dbraw/zinc/44/26/80/852442680.db2.gz ATKIMEKSLWPLAP-UHFFFAOYSA-N 1 2 422.510 4.425 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1C#N ZINC000107817868 852800723 /nfs/dbraw/zinc/80/07/23/852800723.db2.gz CQKCNNCTRAUUMN-NRFANRHFSA-N 1 2 405.477 4.209 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1C#N ZINC000107817868 852800731 /nfs/dbraw/zinc/80/07/31/852800731.db2.gz CQKCNNCTRAUUMN-NRFANRHFSA-N 1 2 405.477 4.209 20 30 HIEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000108510889 852855461 /nfs/dbraw/zinc/85/54/61/852855461.db2.gz OPOXMPGNCFWIFB-HXUWFJFHSA-N 1 2 412.559 4.289 20 30 HIEDLO C=CC[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(OC)cc1 ZINC000111047814 853193667 /nfs/dbraw/zinc/19/36/67/853193667.db2.gz HYPDPXNXRYTSPM-JOCHJYFZSA-N 1 2 407.539 4.046 20 30 HIEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(OC)cc1 ZINC000111047814 853193669 /nfs/dbraw/zinc/19/36/69/853193669.db2.gz HYPDPXNXRYTSPM-JOCHJYFZSA-N 1 2 407.539 4.046 20 30 HIEDLO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000139804360 853422717 /nfs/dbraw/zinc/42/27/17/853422717.db2.gz JCDZLGLKHYAYEJ-ZDUSSCGKSA-N 1 2 406.408 4.205 20 30 HIEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000248150696 854182823 /nfs/dbraw/zinc/18/28/23/854182823.db2.gz HAIXQUZHQKHFDX-JXFKEZNVSA-N 1 2 412.559 4.289 20 30 HIEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000248150696 854182826 /nfs/dbraw/zinc/18/28/26/854182826.db2.gz HAIXQUZHQKHFDX-JXFKEZNVSA-N 1 2 412.559 4.289 20 30 HIEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000261418980 854255500 /nfs/dbraw/zinc/25/55/00/854255500.db2.gz CSSIGZGSXNMTOC-QHCPKHFHSA-N 1 2 406.530 4.053 20 30 HIEDLO COc1ccc([C@H](CNc2cc(C#N)ccc2C(F)(F)F)[NH+]2CCOCC2)cc1 ZINC000301730611 854453713 /nfs/dbraw/zinc/45/37/13/854453713.db2.gz SFVQHXGFERWYFE-FQEVSTJZSA-N 1 2 405.420 4.071 20 30 HIEDLO CC(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303223145 854823949 /nfs/dbraw/zinc/82/39/49/854823949.db2.gz VMBGKLFOQPNTKY-IECBHUPTSA-N 1 2 421.541 4.210 20 30 HIEDLO CC(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303223148 854824014 /nfs/dbraw/zinc/82/40/14/854824014.db2.gz VMBGKLFOQPNTKY-YDIMBITNSA-N 1 2 421.541 4.210 20 30 HIEDLO CC(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303223148 854824016 /nfs/dbraw/zinc/82/40/16/854824016.db2.gz VMBGKLFOQPNTKY-YDIMBITNSA-N 1 2 421.541 4.210 20 30 HIEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](c2ccc(F)cc2)O1 ZINC000303883736 855269893 /nfs/dbraw/zinc/26/98/93/855269893.db2.gz JKBLISZCHUZCCI-LIRRHRJNSA-N 1 2 413.518 4.038 20 30 HIEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](c2ccc(F)cc2)O1 ZINC000303883736 855269900 /nfs/dbraw/zinc/26/99/00/855269900.db2.gz JKBLISZCHUZCCI-LIRRHRJNSA-N 1 2 413.518 4.038 20 30 HIEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000427988938 857034401 /nfs/dbraw/zinc/03/44/01/857034401.db2.gz FFFFLGFJPCFFRB-UHFFFAOYSA-N 1 2 419.554 4.266 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428708219 857304160 /nfs/dbraw/zinc/30/41/60/857304160.db2.gz FHJBWRMKKFFQPC-GHTZIAJQSA-N 1 2 416.447 4.021 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428708219 857304172 /nfs/dbraw/zinc/30/41/72/857304172.db2.gz FHJBWRMKKFFQPC-GHTZIAJQSA-N 1 2 416.447 4.021 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428747568 857316551 /nfs/dbraw/zinc/31/65/51/857316551.db2.gz XBIDMEBEXOYCDQ-NQIIRXRSSA-N 1 2 416.447 4.021 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428747568 857316556 /nfs/dbraw/zinc/31/65/56/857316556.db2.gz XBIDMEBEXOYCDQ-NQIIRXRSSA-N 1 2 416.447 4.021 20 30 HIEDLO COC(=O)C[C@@](C)([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)cc1 ZINC000428944491 857429474 /nfs/dbraw/zinc/42/94/74/857429474.db2.gz TURBRYWGOIEBRN-LJQANCHMSA-N 1 2 405.267 4.028 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000429157968 857535656 /nfs/dbraw/zinc/53/56/56/857535656.db2.gz WPQQHMZQVGDQHW-SJORKVTESA-N 1 2 403.960 4.245 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000429157968 857535660 /nfs/dbraw/zinc/53/56/60/857535660.db2.gz WPQQHMZQVGDQHW-SJORKVTESA-N 1 2 403.960 4.245 20 30 HIEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)sc2C1 ZINC000429309354 857599041 /nfs/dbraw/zinc/59/90/41/857599041.db2.gz MPHAOWXPXLLGCU-YVSFHVDLSA-N 1 2 417.619 4.333 20 30 HIEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)sc2C1 ZINC000429309354 857599045 /nfs/dbraw/zinc/59/90/45/857599045.db2.gz MPHAOWXPXLLGCU-YVSFHVDLSA-N 1 2 417.619 4.333 20 30 HIEDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000429381590 857633862 /nfs/dbraw/zinc/63/38/62/857633862.db2.gz DPQGHDOKDGAZGZ-UHFFFAOYSA-N 1 2 408.477 4.136 20 30 HIEDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000429381590 857633864 /nfs/dbraw/zinc/63/38/64/857633864.db2.gz DPQGHDOKDGAZGZ-UHFFFAOYSA-N 1 2 408.477 4.136 20 30 HIEDLO N#CCSc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000430689320 858270538 /nfs/dbraw/zinc/27/05/38/858270538.db2.gz DKDIWGNNIOCCLP-SFHVURJKSA-N 1 2 417.937 4.489 20 30 HIEDLO N#CCSc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000430689320 858270545 /nfs/dbraw/zinc/27/05/45/858270545.db2.gz DKDIWGNNIOCCLP-SFHVURJKSA-N 1 2 417.937 4.489 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)C1=O ZINC000434828221 860510244 /nfs/dbraw/zinc/51/02/44/860510244.db2.gz BQRUTTZTGBENPD-FQEVSTJZSA-N 1 2 406.486 4.135 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)C1=O ZINC000434828221 860510248 /nfs/dbraw/zinc/51/02/48/860510248.db2.gz BQRUTTZTGBENPD-FQEVSTJZSA-N 1 2 406.486 4.135 20 30 HIEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000434889690 860537406 /nfs/dbraw/zinc/53/74/06/860537406.db2.gz XHYLFFDDBKNLQI-DEOSSOPVSA-N 1 2 420.534 4.158 20 30 HIEDLO COc1cccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000438731691 864215812 /nfs/dbraw/zinc/21/58/12/864215812.db2.gz LUCJMCWWOFUWNF-UHFFFAOYSA-N 1 2 417.484 4.025 20 30 HIEDLO COc1cccc(CNC(=O)C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000438731691 864215837 /nfs/dbraw/zinc/21/58/37/864215837.db2.gz LUCJMCWWOFUWNF-UHFFFAOYSA-N 1 2 417.484 4.025 20 30 HIEDLO N#CCC[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000438865645 864359014 /nfs/dbraw/zinc/35/90/14/864359014.db2.gz RYAWDYFVPPVMHR-GCJKJVERSA-N 1 2 412.484 4.273 20 30 HIEDLO N#CCC[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000438865645 864359032 /nfs/dbraw/zinc/35/90/32/864359032.db2.gz RYAWDYFVPPVMHR-GCJKJVERSA-N 1 2 412.484 4.273 20 30 HIEDLO CCC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000439047012 864498679 /nfs/dbraw/zinc/49/86/79/864498679.db2.gz ZIKFMGVZKVIIJY-OAQYLSRUSA-N 1 2 420.557 4.289 20 30 HIEDLO CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000439047012 864498688 /nfs/dbraw/zinc/49/86/88/864498688.db2.gz ZIKFMGVZKVIIJY-OAQYLSRUSA-N 1 2 420.557 4.289 20 30 HIEDLO CCCc1c(NC(=O)NCCCCNc2cccc[nH+]2)cnn1-c1cccc(C#N)c1 ZINC000439690244 865026529 /nfs/dbraw/zinc/02/65/29/865026529.db2.gz ASPFWZGDHUKPGA-UHFFFAOYSA-N 1 2 417.517 4.105 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000441043635 866111508 /nfs/dbraw/zinc/11/15/08/866111508.db2.gz XNZRTJREZYYSNR-ZRLQOBAPSA-N 1 2 406.933 4.244 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000441043635 866111535 /nfs/dbraw/zinc/11/15/35/866111535.db2.gz XNZRTJREZYYSNR-ZRLQOBAPSA-N 1 2 406.933 4.244 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441085090 866177877 /nfs/dbraw/zinc/17/78/77/866177877.db2.gz KUHCWFHJCRJZCV-TZMCWYRMSA-N 1 2 408.449 4.240 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441085090 866177901 /nfs/dbraw/zinc/17/79/01/866177901.db2.gz KUHCWFHJCRJZCV-TZMCWYRMSA-N 1 2 408.449 4.240 20 30 HIEDLO N#Cc1cccc(-c2nnc(C[N@@H+](CCCO)Cc3ccc(Cl)c(Cl)c3)o2)c1 ZINC000441400606 866475776 /nfs/dbraw/zinc/47/57/76/866475776.db2.gz WUXWEQGZXSRZDR-UHFFFAOYSA-N 1 2 417.296 4.300 20 30 HIEDLO N#Cc1cccc(-c2nnc(C[N@H+](CCCO)Cc3ccc(Cl)c(Cl)c3)o2)c1 ZINC000441400606 866475780 /nfs/dbraw/zinc/47/57/80/866475780.db2.gz WUXWEQGZXSRZDR-UHFFFAOYSA-N 1 2 417.296 4.300 20 30 HIEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CSCc2ccc(C#N)cc2)c(C)c1 ZINC000441488666 866570114 /nfs/dbraw/zinc/57/01/14/866570114.db2.gz IQWIRFZQOKRFHX-QFIPXVFZSA-N 1 2 404.539 4.163 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NCC2CCC(C#N)CC2)cc1 ZINC000442739046 867657772 /nfs/dbraw/zinc/65/77/72/867657772.db2.gz PHIXCILDGUEULQ-UHFFFAOYSA-N 1 2 423.561 4.214 20 30 HIEDLO COc1cc(C[NH2+][C@H](C)c2nc(-c3ccc(Br)cc3)no2)ccc1C#N ZINC000443069357 867810201 /nfs/dbraw/zinc/81/02/01/867810201.db2.gz NDDOXDGVEMBGBU-GFCCVEGCSA-N 1 2 413.275 4.230 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000444696174 868962533 /nfs/dbraw/zinc/96/25/33/868962533.db2.gz VBXYSQWLHVQQLX-SFHVURJKSA-N 1 2 418.463 4.238 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000444696174 868962536 /nfs/dbraw/zinc/96/25/36/868962536.db2.gz VBXYSQWLHVQQLX-SFHVURJKSA-N 1 2 418.463 4.238 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000444709435 868968211 /nfs/dbraw/zinc/96/82/11/868968211.db2.gz TXHNVZKJIYPYQZ-HNNXBMFYSA-N 1 2 422.426 4.318 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000444709435 868968217 /nfs/dbraw/zinc/96/82/17/868968217.db2.gz TXHNVZKJIYPYQZ-HNNXBMFYSA-N 1 2 422.426 4.318 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000444721641 868975277 /nfs/dbraw/zinc/97/52/77/868975277.db2.gz WQBSTULSKXZIJO-HNNXBMFYSA-N 1 2 422.426 4.318 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000444721641 868975284 /nfs/dbraw/zinc/97/52/84/868975284.db2.gz WQBSTULSKXZIJO-HNNXBMFYSA-N 1 2 422.426 4.318 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000445243938 869299543 /nfs/dbraw/zinc/29/95/43/869299543.db2.gz YIONQJXDKAODFD-GOSISDBHSA-N 1 2 401.470 4.496 20 30 HIEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cn3ccccc3c2C#N)c2ccccc2)c1 ZINC000446643049 870553712 /nfs/dbraw/zinc/55/37/12/870553712.db2.gz RYZGBYFNVGBLEC-DEOSSOPVSA-N 1 2 415.518 4.094 20 30 HIEDLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000447374668 871280848 /nfs/dbraw/zinc/28/08/48/871280848.db2.gz OOTBRGIHOXVCTM-INIZCTEOSA-N 1 2 406.461 4.276 20 30 HIEDLO CC(C)[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000468504939 882504645 /nfs/dbraw/zinc/50/46/45/882504645.db2.gz CKHAZEFVSGXGSR-QFIPXVFZSA-N 1 2 412.484 4.061 20 30 HIEDLO CC(C)([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000447889503 871802816 /nfs/dbraw/zinc/80/28/16/871802816.db2.gz HSFABOPKDHXBOM-CQSZACIVSA-N 1 2 408.449 4.054 20 30 HIEDLO COc1ccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2Cl)c(C)c1 ZINC000462175633 875274328 /nfs/dbraw/zinc/27/43/28/875274328.db2.gz LCYOJIYKBZCUNJ-PKTZIBPZSA-N 1 2 413.949 4.391 20 30 HIEDLO CSc1cccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2cc(F)ccc2F)c1 ZINC000462176914 875276062 /nfs/dbraw/zinc/27/60/62/875276062.db2.gz NAUZUJVWXMUULE-YADHBBJMSA-N 1 2 417.525 4.420 20 30 HIEDLO CC#CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000462380165 875493367 /nfs/dbraw/zinc/49/33/67/875493367.db2.gz NEHUDKKWICVPCV-UHFFFAOYSA-N 1 2 406.502 4.360 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000462587671 875705789 /nfs/dbraw/zinc/70/57/89/875705789.db2.gz FAPMSQMEXDFKSQ-YIILKADPSA-N 1 2 401.432 4.031 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000462587671 875705794 /nfs/dbraw/zinc/70/57/94/875705794.db2.gz FAPMSQMEXDFKSQ-YIILKADPSA-N 1 2 401.432 4.031 20 30 HIEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cn2c1 ZINC000464937368 878269884 /nfs/dbraw/zinc/26/98/84/878269884.db2.gz KFVNBGSNSWFLHL-SFTDATJTSA-N 1 2 404.539 4.174 20 30 HIEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cn2c1 ZINC000464937364 878270349 /nfs/dbraw/zinc/27/03/49/878270349.db2.gz KFVNBGSNSWFLHL-NHCUHLMSSA-N 1 2 404.539 4.174 20 30 HIEDLO N#Cc1ccc(F)c(CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000465538019 878998564 /nfs/dbraw/zinc/99/85/64/878998564.db2.gz HSFFOCCOBNMMIL-LJQANCHMSA-N 1 2 418.875 4.126 20 30 HIEDLO C[C@@H](c1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1)[NH+]1CCOCC1 ZINC000503455371 912479346 /nfs/dbraw/zinc/47/93/46/912479346.db2.gz BAWHTMGIWBAKIA-IBGZPJMESA-N 1 2 416.525 4.273 20 30 HIEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)o1 ZINC000467019204 880820974 /nfs/dbraw/zinc/82/09/74/880820974.db2.gz VONVPASVRYTQEN-IBGZPJMESA-N 1 2 401.894 4.163 20 30 HIEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)o1 ZINC000467019204 880820976 /nfs/dbraw/zinc/82/09/76/880820976.db2.gz VONVPASVRYTQEN-IBGZPJMESA-N 1 2 401.894 4.163 20 30 HIEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467270191 881009842 /nfs/dbraw/zinc/00/98/42/881009842.db2.gz YKGOGGXOIXLTOQ-UHFFFAOYSA-N 1 2 420.322 4.221 20 30 HIEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467270191 881009862 /nfs/dbraw/zinc/00/98/62/881009862.db2.gz YKGOGGXOIXLTOQ-UHFFFAOYSA-N 1 2 420.322 4.221 20 30 HIEDLO N#Cc1c(NC(=O)C[NH+]2CCC(OC3CCCC3)CC2)sc2c1CCCCC2 ZINC000503574955 912657010 /nfs/dbraw/zinc/65/70/10/912657010.db2.gz XGAUVQNPCVMREV-UHFFFAOYSA-N 1 2 401.576 4.251 20 30 HIEDLO N#CCCCn1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c2ccccc21 ZINC000469287519 883384928 /nfs/dbraw/zinc/38/49/28/883384928.db2.gz PFNVOHBUGYKNQY-UHFFFAOYSA-N 1 2 413.481 4.473 20 30 HIEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc(-c4ccc(C(C)C)cc4)s3)CC2)c1C#N ZINC000472156501 886955085 /nfs/dbraw/zinc/95/50/85/886955085.db2.gz NYPFVSJAKQUDLF-UHFFFAOYSA-N 1 2 420.586 4.169 20 30 HIEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](c4cccs4)C3)sc2C1 ZINC000472824691 887670566 /nfs/dbraw/zinc/67/05/66/887670566.db2.gz CSJLBOMXIQMXEE-RHSMWYFYSA-N 1 2 415.584 4.208 20 30 HIEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H](c4cccs4)C3)sc2C1 ZINC000472824691 887670574 /nfs/dbraw/zinc/67/05/74/887670574.db2.gz CSJLBOMXIQMXEE-RHSMWYFYSA-N 1 2 415.584 4.208 20 30 HIEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000473581728 888323402 /nfs/dbraw/zinc/32/34/02/888323402.db2.gz ISYKWMHQOQFCLS-RUZDIDTESA-N 1 2 403.526 4.443 20 30 HIEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc2cccc(F)c2o1 ZINC000473923101 888803734 /nfs/dbraw/zinc/80/37/34/888803734.db2.gz OXZZUXDYJACICB-MRXNPFEDSA-N 1 2 406.461 4.032 20 30 HIEDLO C=CCOc1ccccc1C[N@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000504547667 913325309 /nfs/dbraw/zinc/32/53/09/913325309.db2.gz RPPYGKDGRLMPHO-UHFFFAOYSA-N 1 2 423.376 4.214 20 30 HIEDLO C=CCOc1ccccc1C[N@@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000504547667 913325322 /nfs/dbraw/zinc/32/53/22/913325322.db2.gz RPPYGKDGRLMPHO-UHFFFAOYSA-N 1 2 423.376 4.214 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC=C(c3cccc(OC)c3)CC2)cc1 ZINC000476234466 891157669 /nfs/dbraw/zinc/15/76/69/891157669.db2.gz RBWMWNSAIMOWPA-UHFFFAOYSA-N 1 2 419.525 4.130 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC=C(c3cccc(OC)c3)CC2)cc1 ZINC000476234466 891157675 /nfs/dbraw/zinc/15/76/75/891157675.db2.gz RBWMWNSAIMOWPA-UHFFFAOYSA-N 1 2 419.525 4.130 20 30 HIEDLO C=CCc1cccc(C(C)C)c1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000476795378 891778088 /nfs/dbraw/zinc/77/80/88/891778088.db2.gz IANAYTUWGOECMU-UHFFFAOYSA-N 1 2 420.557 4.001 20 30 HIEDLO C=CCCc1ccccc1NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000505059701 913797813 /nfs/dbraw/zinc/79/78/13/913797813.db2.gz AOILYCCCRVMUMG-UHFFFAOYSA-N 1 2 406.530 4.030 20 30 HIEDLO N#CCCCn1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc21 ZINC000505150107 913844838 /nfs/dbraw/zinc/84/48/38/913844838.db2.gz BZKLDUZCAPUCDD-IBGZPJMESA-N 1 2 415.541 4.498 20 30 HIEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)[nH]1 ZINC000479303308 894589764 /nfs/dbraw/zinc/58/97/64/894589764.db2.gz OITBXFHBICUKOT-UHFFFAOYSA-N 1 2 410.930 4.226 20 30 HIEDLO Cc1coc(-c2cc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2C)n1 ZINC000479309360 894595608 /nfs/dbraw/zinc/59/56/08/894595608.db2.gz CVDCLSZPFXOCGG-UHFFFAOYSA-N 1 2 415.497 4.180 20 30 HIEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)sc2C1 ZINC000479530022 894837283 /nfs/dbraw/zinc/83/72/83/894837283.db2.gz SQDZSHXQNVSOCE-UHFFFAOYSA-N 1 2 406.536 4.406 20 30 HIEDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)sc2C1 ZINC000479530022 894837286 /nfs/dbraw/zinc/83/72/86/894837286.db2.gz SQDZSHXQNVSOCE-UHFFFAOYSA-N 1 2 406.536 4.406 20 30 HIEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000480140295 895521564 /nfs/dbraw/zinc/52/15/64/895521564.db2.gz ZZAFKPDZEPKCGE-UHFFFAOYSA-N 1 2 403.507 4.370 20 30 HIEDLO C=C(C)Cn1c(SCC(=O)Nc2ccccc2-n2cc[nH+]c2)nnc1-c1ccco1 ZINC000480194088 895590181 /nfs/dbraw/zinc/59/01/81/895590181.db2.gz SRSBJTITDQCZOI-UHFFFAOYSA-N 1 2 420.498 4.031 20 30 HIEDLO COc1ccccc1[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC000505458842 914130675 /nfs/dbraw/zinc/13/06/75/914130675.db2.gz CQCQGCDFLAXZLI-QHCPKHFHSA-N 1 2 413.477 4.146 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000481823214 897195135 /nfs/dbraw/zinc/19/51/35/897195135.db2.gz JITJYDJFGGQMFQ-FHWLQOOXSA-N 1 2 408.502 4.083 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000481823214 897195139 /nfs/dbraw/zinc/19/51/39/897195139.db2.gz JITJYDJFGGQMFQ-FHWLQOOXSA-N 1 2 408.502 4.083 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2Cl)c1 ZINC000484894059 900277291 /nfs/dbraw/zinc/27/72/91/900277291.db2.gz OIHDSSBNCDMKQC-KRWDZBQOSA-N 1 2 406.873 4.188 20 30 HIEDLO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000505770569 914437166 /nfs/dbraw/zinc/43/71/66/914437166.db2.gz GXUUZHAVAHRGSS-UHFFFAOYSA-N 1 2 412.497 4.135 20 30 HIEDLO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000505770569 914437177 /nfs/dbraw/zinc/43/71/77/914437177.db2.gz GXUUZHAVAHRGSS-UHFFFAOYSA-N 1 2 412.497 4.135 20 30 HIEDLO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[NH+]1CCC(C(F)F)CC1)CCCC2 ZINC000486151157 901338672 /nfs/dbraw/zinc/33/86/72/901338672.db2.gz WQYNQCIOENLIDI-UHFFFAOYSA-N 1 2 412.484 4.143 20 30 HIEDLO N#C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000505939185 914591110 /nfs/dbraw/zinc/59/11/10/914591110.db2.gz UCKXIQFICOBFKN-RBUKOAKNSA-N 1 2 419.472 4.176 20 30 HIEDLO N#Cc1c(F)cccc1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000488258747 902731538 /nfs/dbraw/zinc/73/15/38/902731538.db2.gz FYFBWKDKNNLYAB-UHFFFAOYSA-N 1 2 407.518 4.225 20 30 HIEDLO N#Cc1ccc(Cl)c(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000506034430 914718528 /nfs/dbraw/zinc/71/85/28/914718528.db2.gz DHIZPZNNLVLLLT-UHFFFAOYSA-N 1 2 408.914 4.479 20 30 HIEDLO N#Cc1ccc(Cl)c(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000506034430 914718543 /nfs/dbraw/zinc/71/85/43/914718543.db2.gz DHIZPZNNLVLLLT-UHFFFAOYSA-N 1 2 408.914 4.479 20 30 HIEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490224721 903836187 /nfs/dbraw/zinc/83/61/87/903836187.db2.gz NWOZDJHMONBWRW-NHCUHLMSSA-N 1 2 403.448 4.247 20 30 HIEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490224721 903836192 /nfs/dbraw/zinc/83/61/92/903836192.db2.gz NWOZDJHMONBWRW-NHCUHLMSSA-N 1 2 403.448 4.247 20 30 HIEDLO N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000492080809 904794174 /nfs/dbraw/zinc/79/41/74/904794174.db2.gz NRGROPBNENHINV-UHFFFAOYSA-N 1 2 408.465 4.187 20 30 HIEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(OC(F)F)c1 ZINC000512400960 921135563 /nfs/dbraw/zinc/13/55/63/921135563.db2.gz UQRXFQHGCWNLII-UHFFFAOYSA-N 1 2 424.451 4.039 20 30 HIEDLO Cc1ccc([C@H]([NH2+]Cc2cc(C#N)ccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000494019403 905359202 /nfs/dbraw/zinc/35/92/02/905359202.db2.gz IIFUEZUYTMOYFX-QHCPKHFHSA-N 1 2 408.498 4.289 20 30 HIEDLO COc1cc(Br)c(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1O ZINC000494020992 905360976 /nfs/dbraw/zinc/36/09/76/905360976.db2.gz QPOQXHGNZSQWGT-UHFFFAOYSA-N 1 2 414.221 4.323 20 30 HIEDLO CC[N@H+](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)Cc1ccccc1Cl ZINC000496111849 906610605 /nfs/dbraw/zinc/61/06/05/906610605.db2.gz OCPDOGQVSHFRLE-UHFFFAOYSA-N 1 2 411.933 4.104 20 30 HIEDLO CC[N@@H+](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)Cc1ccccc1Cl ZINC000496111849 906610617 /nfs/dbraw/zinc/61/06/17/906610617.db2.gz OCPDOGQVSHFRLE-UHFFFAOYSA-N 1 2 411.933 4.104 20 30 HIEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)c1 ZINC000512623993 921266275 /nfs/dbraw/zinc/26/62/75/921266275.db2.gz VPBHVJNZHBEQOZ-UHFFFAOYSA-N 1 2 405.542 4.036 20 30 HIEDLO COc1cc(-c2noc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)n2)ccc1C ZINC000512802101 921314189 /nfs/dbraw/zinc/31/41/89/921314189.db2.gz QMVYOQLKPDWHMW-UHFFFAOYSA-N 1 2 422.460 4.108 20 30 HIEDLO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512845750 921348708 /nfs/dbraw/zinc/34/87/08/921348708.db2.gz UTVXPLZEPUAEDA-CQSZACIVSA-N 1 2 401.869 4.221 20 30 HIEDLO C=CCN(Cc1ccccc1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000499156041 908512340 /nfs/dbraw/zinc/51/23/40/908512340.db2.gz GCCHFIFLBMXIHF-YADHBBJMSA-N 1 2 413.949 4.110 20 30 HIEDLO C=CCN(Cc1ccccc1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000499156041 908512348 /nfs/dbraw/zinc/51/23/48/908512348.db2.gz GCCHFIFLBMXIHF-YADHBBJMSA-N 1 2 413.949 4.110 20 30 HIEDLO N#CCc1ccc(NC(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000499237813 908601582 /nfs/dbraw/zinc/60/15/82/908601582.db2.gz WBKPIXMHTCDJDY-UHFFFAOYSA-N 1 2 417.340 4.452 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000499954635 909057581 /nfs/dbraw/zinc/05/75/81/909057581.db2.gz NETQYLSCPAFAEZ-JXFKEZNVSA-N 1 2 417.912 4.054 20 30 HIEDLO C=CCCC[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000501557344 910660841 /nfs/dbraw/zinc/66/08/41/910660841.db2.gz UPXOXBWCGRKUEP-HNNXBMFYSA-N 1 2 409.328 4.195 20 30 HIEDLO CC1(C#N)CCN(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000503221918 912202792 /nfs/dbraw/zinc/20/27/92/912202792.db2.gz WEPRXLNDYRFYQJ-UHFFFAOYSA-N 1 2 413.525 4.434 20 30 HIEDLO CC[N@H+](CCC#N)Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000506495065 915107015 /nfs/dbraw/zinc/10/70/15/915107015.db2.gz IVEDCDUFIOBCRL-UHFFFAOYSA-N 1 2 401.894 4.102 20 30 HIEDLO CC[N@@H+](CCC#N)Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000506495065 915107042 /nfs/dbraw/zinc/10/70/42/915107042.db2.gz IVEDCDUFIOBCRL-UHFFFAOYSA-N 1 2 401.894 4.102 20 30 HIEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000507210162 915961348 /nfs/dbraw/zinc/96/13/48/915961348.db2.gz JTKPZLAFAVLSDX-UHFFFAOYSA-N 1 2 409.364 4.048 20 30 HIEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000507210162 915961363 /nfs/dbraw/zinc/96/13/63/915961363.db2.gz JTKPZLAFAVLSDX-UHFFFAOYSA-N 1 2 409.364 4.048 20 30 HIEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)cn2c1 ZINC000508236237 917053790 /nfs/dbraw/zinc/05/37/90/917053790.db2.gz WQZQKMZMWKJPDQ-UHFFFAOYSA-N 1 2 420.416 4.285 20 30 HIEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000508357054 917159098 /nfs/dbraw/zinc/15/90/98/917159098.db2.gz CDXWSVVKQYVETO-UHFFFAOYSA-N 1 2 413.886 4.011 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(Br)cs1 ZINC000510070293 918639250 /nfs/dbraw/zinc/63/92/50/918639250.db2.gz JPVRQICVRAMBFT-AWEZNQCLSA-N 1 2 406.349 4.278 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(Br)cs1 ZINC000510070293 918639254 /nfs/dbraw/zinc/63/92/54/918639254.db2.gz JPVRQICVRAMBFT-AWEZNQCLSA-N 1 2 406.349 4.278 20 30 HIEDLO N#Cc1cccc(COc2cccc(C[NH+]3CCN(C(=O)c4ccsc4)CC3)c2)c1 ZINC000510159884 918712553 /nfs/dbraw/zinc/71/25/53/918712553.db2.gz ORUFNYTZZVCAHS-UHFFFAOYSA-N 1 2 417.534 4.157 20 30 HIEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000510842631 919326705 /nfs/dbraw/zinc/32/67/05/919326705.db2.gz QXVIKBUTVOFGMC-WZONZLPQSA-N 1 2 412.493 4.243 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(F)c(C#N)c1 ZINC000511169723 919791786 /nfs/dbraw/zinc/79/17/86/919791786.db2.gz JWXPXRFCOPFTHE-UHFFFAOYSA-N 1 2 406.461 4.025 20 30 HIEDLO CCCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000511502840 920116277 /nfs/dbraw/zinc/11/62/77/920116277.db2.gz GGFVWCQAWCFTRK-UHFFFAOYSA-N 1 2 412.921 4.350 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000511599678 920245904 /nfs/dbraw/zinc/24/59/04/920245904.db2.gz PKFDDEHRCLTKQN-UHFFFAOYSA-N 1 2 402.325 4.142 20 30 HIEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1OC ZINC000513746288 922067020 /nfs/dbraw/zinc/06/70/20/922067020.db2.gz SFROAYJJLHFOMI-NRFANRHFSA-N 1 2 405.441 4.435 20 30 HIEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1OC ZINC000513746288 922067038 /nfs/dbraw/zinc/06/70/38/922067038.db2.gz SFROAYJJLHFOMI-NRFANRHFSA-N 1 2 405.441 4.435 20 30 HIEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(Br)cc1 ZINC000513784377 922110292 /nfs/dbraw/zinc/11/02/92/922110292.db2.gz QGSVOHMIRFIFJM-UHFFFAOYSA-N 1 2 421.360 4.005 20 30 HIEDLO CC(C)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(Br)cc1 ZINC000513784377 922110298 /nfs/dbraw/zinc/11/02/98/922110298.db2.gz QGSVOHMIRFIFJM-UHFFFAOYSA-N 1 2 421.360 4.005 20 30 HIEDLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000514121611 922453906 /nfs/dbraw/zinc/45/39/06/922453906.db2.gz XZXIRVOQQHJVPC-UHFFFAOYSA-N 1 2 420.513 4.087 20 30 HIEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000514121611 922453914 /nfs/dbraw/zinc/45/39/14/922453914.db2.gz XZXIRVOQQHJVPC-UHFFFAOYSA-N 1 2 420.513 4.087 20 30 HIEDLO CCCCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000517316568 924097973 /nfs/dbraw/zinc/09/79/73/924097973.db2.gz VWXDILUMIWLFQO-UHFFFAOYSA-N 1 2 406.530 4.395 20 30 HIEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000518264335 927121120 /nfs/dbraw/zinc/12/11/20/927121120.db2.gz LYVJUDMQUYCMCI-UHFFFAOYSA-N 1 2 416.525 4.038 20 30 HIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000518585966 927364116 /nfs/dbraw/zinc/36/41/16/927364116.db2.gz XFVKCCMBIZXARG-UHFFFAOYSA-N 1 2 401.461 4.005 20 30 HIEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@H](c3cncc(Br)c3)C3CC3)o2)cc1 ZINC000519755019 928066681 /nfs/dbraw/zinc/06/66/81/928066681.db2.gz UCRIQVQEGLQNCZ-SFHVURJKSA-N 1 2 410.275 4.007 20 30 HIEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000524829853 929849501 /nfs/dbraw/zinc/84/95/01/929849501.db2.gz TXNFCAXSXDCBQE-UHFFFAOYSA-N 1 2 421.457 4.090 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)Cc1cccs1 ZINC000525782714 930442731 /nfs/dbraw/zinc/44/27/31/930442731.db2.gz AHYPKLNJZOQWHA-HXUWFJFHSA-N 1 2 400.544 4.117 20 30 HIEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)Cc1cccs1 ZINC000525782714 930442738 /nfs/dbraw/zinc/44/27/38/930442738.db2.gz AHYPKLNJZOQWHA-HXUWFJFHSA-N 1 2 400.544 4.117 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000532486374 931457495 /nfs/dbraw/zinc/45/74/95/931457495.db2.gz SPCLHDFGKAMABH-DEOSSOPVSA-N 1 2 403.526 4.309 20 30 HIEDLO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000532486374 931457496 /nfs/dbraw/zinc/45/74/96/931457496.db2.gz SPCLHDFGKAMABH-DEOSSOPVSA-N 1 2 403.526 4.309 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c2ccccc21 ZINC000532579488 931539126 /nfs/dbraw/zinc/53/91/26/931539126.db2.gz ISSXDFDPRIBQEN-IBGZPJMESA-N 1 2 417.484 4.472 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c2ccccc21 ZINC000532579488 931539136 /nfs/dbraw/zinc/53/91/36/931539136.db2.gz ISSXDFDPRIBQEN-IBGZPJMESA-N 1 2 417.484 4.472 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c2ccccc21 ZINC000532579534 931539751 /nfs/dbraw/zinc/53/97/51/931539751.db2.gz ISSXDFDPRIBQEN-LJQANCHMSA-N 1 2 417.484 4.472 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c2ccccc21 ZINC000532579534 931539764 /nfs/dbraw/zinc/53/97/64/931539764.db2.gz ISSXDFDPRIBQEN-LJQANCHMSA-N 1 2 417.484 4.472 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000532625140 931557729 /nfs/dbraw/zinc/55/77/29/931557729.db2.gz JXNHDNORUDQZDY-WBVHZDCISA-N 1 2 408.552 4.214 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000532625140 931557733 /nfs/dbraw/zinc/55/77/33/931557733.db2.gz JXNHDNORUDQZDY-WBVHZDCISA-N 1 2 408.552 4.214 20 30 HIEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000532899125 931684664 /nfs/dbraw/zinc/68/46/64/931684664.db2.gz AZYLZGXRTYIZLM-HNNXBMFYSA-N 1 2 403.885 4.255 20 30 HIEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000532899125 931684665 /nfs/dbraw/zinc/68/46/65/931684665.db2.gz AZYLZGXRTYIZLM-HNNXBMFYSA-N 1 2 403.885 4.255 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](Cc2ccco2)C(C)C)c1C#N ZINC000532926669 931698262 /nfs/dbraw/zinc/69/82/62/931698262.db2.gz SRFZHDHBLNFOLY-UHFFFAOYSA-N 1 2 404.514 4.467 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](Cc2ccco2)C(C)C)c1C#N ZINC000532926669 931698268 /nfs/dbraw/zinc/69/82/68/931698268.db2.gz SRFZHDHBLNFOLY-UHFFFAOYSA-N 1 2 404.514 4.467 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C)c1C#N ZINC000533335503 931841321 /nfs/dbraw/zinc/84/13/21/931841321.db2.gz QTPMKWIGFRDBSD-SFHVURJKSA-N 1 2 402.498 4.176 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C)c1C#N ZINC000533335503 931841322 /nfs/dbraw/zinc/84/13/22/931841322.db2.gz QTPMKWIGFRDBSD-SFHVURJKSA-N 1 2 402.498 4.176 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c1C#N ZINC000533348129 931844325 /nfs/dbraw/zinc/84/43/25/931844325.db2.gz DIPWNFBIGWXGHW-HSZRJFAPSA-N 1 2 413.525 4.196 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)c1C#N ZINC000533348129 931844329 /nfs/dbraw/zinc/84/43/29/931844329.db2.gz DIPWNFBIGWXGHW-HSZRJFAPSA-N 1 2 413.525 4.196 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)C1=O ZINC000533606588 931920123 /nfs/dbraw/zinc/92/01/23/931920123.db2.gz FOGMLWVMDMPMTD-YJBOKZPZSA-N 1 2 415.946 4.169 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](COc3ccccc3Cl)C2)C1=O ZINC000533606588 931920138 /nfs/dbraw/zinc/92/01/38/931920138.db2.gz FOGMLWVMDMPMTD-YJBOKZPZSA-N 1 2 415.946 4.169 20 30 HIEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC000533607143 931920897 /nfs/dbraw/zinc/92/08/97/931920897.db2.gz QIIDSIJYRDFOQW-UHFFFAOYSA-N 1 2 410.461 4.261 20 30 HIEDLO CC(C)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC000533607143 931920911 /nfs/dbraw/zinc/92/09/11/931920911.db2.gz QIIDSIJYRDFOQW-UHFFFAOYSA-N 1 2 410.461 4.261 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)c1C#N ZINC000534204762 932329690 /nfs/dbraw/zinc/32/96/90/932329690.db2.gz PJNRAWFJVCRHEI-QHCPKHFHSA-N 1 2 413.525 4.196 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)c1C#N ZINC000534204762 932329698 /nfs/dbraw/zinc/32/96/98/932329698.db2.gz PJNRAWFJVCRHEI-QHCPKHFHSA-N 1 2 413.525 4.196 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000535211345 933017762 /nfs/dbraw/zinc/01/77/62/933017762.db2.gz KXMICTGYYWSTRC-LJQANCHMSA-N 1 2 415.497 4.087 20 30 HIEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535217103 933021884 /nfs/dbraw/zinc/02/18/84/933021884.db2.gz ZETMHTCYFOZSQI-HXUWFJFHSA-N 1 2 415.497 4.201 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000535968781 933531810 /nfs/dbraw/zinc/53/18/10/933531810.db2.gz KNCFIYFDYNBJPK-FQEVSTJZSA-N 1 2 415.497 4.087 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538023064 938467411 /nfs/dbraw/zinc/46/74/11/938467411.db2.gz QAGPBUCPZMQBCG-WVFSVQOHSA-N 1 2 415.896 4.070 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538023064 938467418 /nfs/dbraw/zinc/46/74/18/938467418.db2.gz QAGPBUCPZMQBCG-WVFSVQOHSA-N 1 2 415.896 4.070 20 30 HIEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1C#N ZINC000538129874 938514161 /nfs/dbraw/zinc/51/41/61/938514161.db2.gz LJOSPBDSOBZSLW-KRWDZBQOSA-N 1 2 413.477 4.448 20 30 HIEDLO C=CCN1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)C1=O ZINC000538610573 938661059 /nfs/dbraw/zinc/66/10/59/938661059.db2.gz GEXDTTIQHKIEEB-OALUTQOASA-N 1 2 403.295 4.054 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000538736562 938696871 /nfs/dbraw/zinc/69/68/71/938696871.db2.gz NZTZBSZOZBRNMD-RUZDIDTESA-N 1 2 400.478 4.416 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000538736562 938696875 /nfs/dbraw/zinc/69/68/75/938696875.db2.gz NZTZBSZOZBRNMD-RUZDIDTESA-N 1 2 400.478 4.416 20 30 HIEDLO Cc1cc(C)cc(C2=CC[N@H+](CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)c1 ZINC000538784806 938710169 /nfs/dbraw/zinc/71/01/69/938710169.db2.gz LHTVQUXOLABROD-UHFFFAOYSA-N 1 2 411.509 4.089 20 30 HIEDLO Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)c1 ZINC000538784806 938710173 /nfs/dbraw/zinc/71/01/73/938710173.db2.gz LHTVQUXOLABROD-UHFFFAOYSA-N 1 2 411.509 4.089 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542986850 939891773 /nfs/dbraw/zinc/89/17/73/939891773.db2.gz SVDSKWATRBVXOG-OAHLLOKOSA-N 1 2 424.492 4.456 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542986850 939891774 /nfs/dbraw/zinc/89/17/74/939891774.db2.gz SVDSKWATRBVXOG-OAHLLOKOSA-N 1 2 424.492 4.456 20 30 HIEDLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000543486854 940080025 /nfs/dbraw/zinc/08/00/25/940080025.db2.gz YKEPPNHZENZVRQ-YOEHRIQHSA-N 1 2 401.532 4.032 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@@H]2/C=C/c2cccs2)cc1 ZINC000543987826 940284176 /nfs/dbraw/zinc/28/41/76/940284176.db2.gz JWWHPNVBVSAJPK-JBVUFVISSA-N 1 2 400.569 4.351 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCCC[C@@H]2/C=C/c2cccs2)cc1 ZINC000543987826 940284179 /nfs/dbraw/zinc/28/41/79/940284179.db2.gz JWWHPNVBVSAJPK-JBVUFVISSA-N 1 2 400.569 4.351 20 30 HIEDLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000544466377 940443418 /nfs/dbraw/zinc/44/34/18/940443418.db2.gz IIHBJLOKUNKHEK-KGLIPLIRSA-N 1 2 406.511 4.441 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000544470489 940445536 /nfs/dbraw/zinc/44/55/36/940445536.db2.gz ABHCDBLCXXVVAJ-QZTJIDSGSA-N 1 2 418.497 4.336 20 30 HIEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc2c(c1)CCCC2 ZINC000548865991 941127098 /nfs/dbraw/zinc/12/70/98/941127098.db2.gz YAMWTWRAUMRRHO-PMACEKPBSA-N 1 2 416.569 4.083 20 30 HIEDLO Cc1n[nH]cc1C1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000551422013 941475889 /nfs/dbraw/zinc/47/58/89/941475889.db2.gz NSUXUYXWTCMILP-OAHLLOKOSA-N 1 2 411.575 4.127 20 30 HIEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000553638282 941928680 /nfs/dbraw/zinc/92/86/80/941928680.db2.gz BOQZANHFGTUIRP-UHFFFAOYSA-N 1 2 413.412 4.382 20 30 HIEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)C[C@H](C)O1 ZINC000554310505 942098953 /nfs/dbraw/zinc/09/89/53/942098953.db2.gz OSJZAQJABYAUOD-KHYOSLBOSA-N 1 2 417.431 4.200 20 30 HIEDLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)C[C@H](C)O1 ZINC000554310505 942098961 /nfs/dbraw/zinc/09/89/61/942098961.db2.gz OSJZAQJABYAUOD-KHYOSLBOSA-N 1 2 417.431 4.200 20 30 HIEDLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000554566237 942168454 /nfs/dbraw/zinc/16/84/54/942168454.db2.gz YUPDHXCENFDJEN-OAQYLSRUSA-N 1 2 424.548 4.233 20 30 HIEDLO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000555264840 942453190 /nfs/dbraw/zinc/45/31/90/942453190.db2.gz DMAWYCDSBVCILI-QGZVFWFLSA-N 1 2 424.499 4.078 20 30 HIEDLO N#Cc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cnc1C(F)(F)F ZINC000555321652 942475939 /nfs/dbraw/zinc/47/59/39/942475939.db2.gz HFZVTDGTXIRQGB-UHFFFAOYSA-N 1 2 411.387 4.424 20 30 HIEDLO CSc1nc(C2CC2)cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1C#N ZINC000557276638 943065341 /nfs/dbraw/zinc/06/53/41/943065341.db2.gz LNRARUZRNJJVQJ-UHFFFAOYSA-N 1 2 413.572 4.247 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000557584338 943220425 /nfs/dbraw/zinc/22/04/25/943220425.db2.gz ZBPULHDARLDXMY-IBGZPJMESA-N 1 2 424.570 4.167 20 30 HIEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)CC2 ZINC000559476894 943971760 /nfs/dbraw/zinc/97/17/60/943971760.db2.gz YETJRFJLGNCHNI-FQEVSTJZSA-N 1 2 410.315 4.047 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(F)(c3cccnc3)CC2)c1C#N ZINC000560206172 944196239 /nfs/dbraw/zinc/19/62/39/944196239.db2.gz BKRLZDPYVDNHSW-UHFFFAOYSA-N 1 2 423.536 4.386 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000568147863 946482499 /nfs/dbraw/zinc/48/24/99/946482499.db2.gz ZCZJKCMSUPVBDG-NVXWUHKLSA-N 1 2 420.328 4.437 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000568147863 946482501 /nfs/dbraw/zinc/48/25/01/946482501.db2.gz ZCZJKCMSUPVBDG-NVXWUHKLSA-N 1 2 420.328 4.437 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)c(F)c1 ZINC000573249428 948122312 /nfs/dbraw/zinc/12/23/12/948122312.db2.gz JTDSZHGBORPUJH-UHFFFAOYSA-N 1 2 421.375 4.250 20 30 HIEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000573532718 948233906 /nfs/dbraw/zinc/23/39/06/948233906.db2.gz AURTWWJDLFHGQJ-XZOQPEGZSA-N 1 2 413.525 4.168 20 30 HIEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000573532718 948233922 /nfs/dbraw/zinc/23/39/22/948233922.db2.gz AURTWWJDLFHGQJ-XZOQPEGZSA-N 1 2 413.525 4.168 20 30 HIEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000573532716 948234159 /nfs/dbraw/zinc/23/41/59/948234159.db2.gz AURTWWJDLFHGQJ-GOTSBHOMSA-N 1 2 413.525 4.168 20 30 HIEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000573532716 948234165 /nfs/dbraw/zinc/23/41/65/948234165.db2.gz AURTWWJDLFHGQJ-GOTSBHOMSA-N 1 2 413.525 4.168 20 30 HIEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000573532717 948234837 /nfs/dbraw/zinc/23/48/37/948234837.db2.gz AURTWWJDLFHGQJ-PKTZIBPZSA-N 1 2 413.525 4.168 20 30 HIEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000573532717 948234859 /nfs/dbraw/zinc/23/48/59/948234859.db2.gz AURTWWJDLFHGQJ-PKTZIBPZSA-N 1 2 413.525 4.168 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000573909420 948326014 /nfs/dbraw/zinc/32/60/14/948326014.db2.gz UMHFSWLXPJZIIC-JTQLQIEISA-N 1 2 400.454 4.320 20 30 HIEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)c(OC)c1 ZINC000007740964 845402813 /nfs/dbraw/zinc/40/28/13/845402813.db2.gz XLCLWGYWVCPVHC-LJQANCHMSA-N 1 2 411.527 4.095 20 30 HIEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)c(OC)c1 ZINC000007740964 845402827 /nfs/dbraw/zinc/40/28/27/845402827.db2.gz XLCLWGYWVCPVHC-LJQANCHMSA-N 1 2 411.527 4.095 20 30 HIEDLO N#Cc1ccc(CCC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000010420855 845658274 /nfs/dbraw/zinc/65/82/74/845658274.db2.gz GJZXTMOSZBONIW-UHFFFAOYSA-N 1 2 402.523 4.144 20 30 HIEDLO N#Cc1ccc(CCC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000010420855 845658282 /nfs/dbraw/zinc/65/82/82/845658282.db2.gz GJZXTMOSZBONIW-UHFFFAOYSA-N 1 2 402.523 4.144 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(Cc3c(-c4ccccc4)nc4ccccn43)CC2)cc1 ZINC000022770872 846618369 /nfs/dbraw/zinc/61/83/69/846618369.db2.gz ZYEDPIDYUIWNSW-UHFFFAOYSA-N 1 2 407.521 4.191 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026328450 847126951 /nfs/dbraw/zinc/12/69/51/847126951.db2.gz QIZBGFKBVGCJPU-UHFFFAOYSA-N 1 2 415.472 4.047 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026328450 847126956 /nfs/dbraw/zinc/12/69/56/847126956.db2.gz QIZBGFKBVGCJPU-UHFFFAOYSA-N 1 2 415.472 4.047 20 30 HIEDLO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000026901858 847220171 /nfs/dbraw/zinc/22/01/71/847220171.db2.gz NQGIBQZTEHCTJF-UHFFFAOYSA-N 1 2 416.330 4.276 20 30 HIEDLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000026901858 847220179 /nfs/dbraw/zinc/22/01/79/847220179.db2.gz NQGIBQZTEHCTJF-UHFFFAOYSA-N 1 2 416.330 4.276 20 30 HIEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CSCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000046343400 848827734 /nfs/dbraw/zinc/82/77/34/848827734.db2.gz INRODZGXGIVXOQ-HDICACEKSA-N 1 2 409.555 4.039 20 30 HIEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CSCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000046343400 848827735 /nfs/dbraw/zinc/82/77/35/848827735.db2.gz INRODZGXGIVXOQ-HDICACEKSA-N 1 2 409.555 4.039 20 30 HIEDLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)Cc1ccc(C#N)cc1 ZINC000046527271 848866969 /nfs/dbraw/zinc/86/69/69/848866969.db2.gz QQXMMDIFDARUFG-IBGZPJMESA-N 1 2 404.495 4.022 20 30 HIEDLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)Cc1ccc(C#N)cc1 ZINC000046527271 848866975 /nfs/dbraw/zinc/86/69/75/848866975.db2.gz QQXMMDIFDARUFG-IBGZPJMESA-N 1 2 404.495 4.022 20 30 HIEDLO C[C@@H](c1nnc(SCCOc2cccc(C#N)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000053237354 849683545 /nfs/dbraw/zinc/68/35/45/849683545.db2.gz NNQPEZVJTHSEGB-HNNXBMFYSA-N 1 2 411.506 4.072 20 30 HIEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000058580671 850861410 /nfs/dbraw/zinc/86/14/10/850861410.db2.gz MDDPYAFKJRWZLS-UHFFFAOYSA-N 1 2 409.574 4.122 20 30 HIEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000058580702 850861661 /nfs/dbraw/zinc/86/16/61/850861661.db2.gz CNXHMZPOECRXFU-KBMIEXCESA-N 1 2 411.590 4.223 20 30 HIEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000058642801 850876971 /nfs/dbraw/zinc/87/69/71/850876971.db2.gz LTCNHFPFZZTKJR-UHFFFAOYSA-N 1 2 422.529 4.185 20 30 HIEDLO C[C@@H](c1nnc(SCCOc2ccccc2C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000060422748 851094452 /nfs/dbraw/zinc/09/44/52/851094452.db2.gz JSNHMJMFDRFIMR-HNNXBMFYSA-N 1 2 411.506 4.072 20 30 HIEDLO COCC[N@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)Cc1ccc(C#N)cc1 ZINC000063754549 851756460 /nfs/dbraw/zinc/75/64/60/851756460.db2.gz RXAABNYSOJQIIU-UHFFFAOYSA-N 1 2 423.538 4.348 20 30 HIEDLO COCC[N@@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)Cc1ccc(C#N)cc1 ZINC000063754549 851756461 /nfs/dbraw/zinc/75/64/61/851756461.db2.gz RXAABNYSOJQIIU-UHFFFAOYSA-N 1 2 423.538 4.348 20 30 HIEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1 ZINC000071873355 852422768 /nfs/dbraw/zinc/42/27/68/852422768.db2.gz RCODRPBSSQLKHC-UHFFFAOYSA-N 1 2 405.498 4.384 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1cccs1 ZINC000097059087 852579509 /nfs/dbraw/zinc/57/95/09/852579509.db2.gz KFQHYUZIJHSYSX-IBGZPJMESA-N 1 2 400.544 4.117 20 30 HIEDLO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1cccs1 ZINC000097059087 852579514 /nfs/dbraw/zinc/57/95/14/852579514.db2.gz KFQHYUZIJHSYSX-IBGZPJMESA-N 1 2 400.544 4.117 20 30 HIEDLO COc1ccc([C@H](CNc2ccc(C#N)cc2C(F)(F)F)[NH+]2CCOCC2)cc1 ZINC000112666146 853237952 /nfs/dbraw/zinc/23/79/52/853237952.db2.gz RFSYNVDIILKWIE-FQEVSTJZSA-N 1 2 405.420 4.071 20 30 HIEDLO C=C(C)COc1cc(C[NH2+][C@@H](c2nccn2C)c2ccc(OC)cc2)ccc1OC ZINC000142880917 853503154 /nfs/dbraw/zinc/50/31/54/853503154.db2.gz DQWFCNCDJMFCQG-HSZRJFAPSA-N 1 2 407.514 4.271 20 30 HIEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCNc1cccc[nH+]1 ZINC000409516567 855519459 /nfs/dbraw/zinc/51/94/59/855519459.db2.gz HQIWWAVRFNPAKB-UHFFFAOYSA-N 1 2 421.314 4.183 20 30 HIEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000426070486 856086148 /nfs/dbraw/zinc/08/61/48/856086148.db2.gz CTVCWAQPGCYCBC-UYAOXDASSA-N 1 2 423.423 4.406 20 30 HIEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)o1 ZINC000428105171 857073351 /nfs/dbraw/zinc/07/33/51/857073351.db2.gz DBTFHAWGTNKANB-UHFFFAOYSA-N 1 2 411.914 4.491 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CCc3c(F)ccc(F)c3C2)sc2c1CCCC2 ZINC000437542483 862876055 /nfs/dbraw/zinc/87/60/55/862876055.db2.gz YKHXDLJFGHENGI-UHFFFAOYSA-N 1 2 401.482 4.164 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCc3c(F)ccc(F)c3C2)sc2c1CCCC2 ZINC000437542483 862876056 /nfs/dbraw/zinc/87/60/56/862876056.db2.gz YKHXDLJFGHENGI-UHFFFAOYSA-N 1 2 401.482 4.164 20 30 HIEDLO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000428783803 857336473 /nfs/dbraw/zinc/33/64/73/857336473.db2.gz KHUWMAYKSXDQBJ-SUMWQHHRSA-N 1 2 423.460 4.429 20 30 HIEDLO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000428783803 857336478 /nfs/dbraw/zinc/33/64/78/857336478.db2.gz KHUWMAYKSXDQBJ-SUMWQHHRSA-N 1 2 423.460 4.429 20 30 HIEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428922542 857417517 /nfs/dbraw/zinc/41/75/17/857417517.db2.gz BIYNDBUSROODJA-CXAGYDPISA-N 1 2 423.460 4.429 20 30 HIEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428922542 857417519 /nfs/dbraw/zinc/41/75/19/857417519.db2.gz BIYNDBUSROODJA-CXAGYDPISA-N 1 2 423.460 4.429 20 30 HIEDLO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000429290972 857592866 /nfs/dbraw/zinc/59/28/66/857592866.db2.gz HETQJVGWGZHBIK-UHFFFAOYSA-N 1 2 407.905 4.362 20 30 HIEDLO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000429290972 857592878 /nfs/dbraw/zinc/59/28/78/857592878.db2.gz HETQJVGWGZHBIK-UHFFFAOYSA-N 1 2 407.905 4.362 20 30 HIEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)ccc1Br ZINC000430227342 858089505 /nfs/dbraw/zinc/08/95/05/858089505.db2.gz PHALRRYABDZQMY-FQEVSTJZSA-N 1 2 412.331 4.083 20 30 HIEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)ccc1Br ZINC000430227342 858089507 /nfs/dbraw/zinc/08/95/07/858089507.db2.gz PHALRRYABDZQMY-FQEVSTJZSA-N 1 2 412.331 4.083 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000430504037 858202829 /nfs/dbraw/zinc/20/28/29/858202829.db2.gz FRYYTIIYLCGODY-UHFFFAOYSA-N 1 2 406.486 4.042 20 30 HIEDLO N#CCCn1cc(C[NH2+][C@H](c2nccs2)c2ccccc2)c(-c2ccncc2)n1 ZINC000433329481 859646863 /nfs/dbraw/zinc/64/68/63/859646863.db2.gz YIQCUGNDEDPCFK-NRFANRHFSA-N 1 2 400.511 4.194 20 30 HIEDLO COc1ccc(C#N)cc1CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000435137503 860659163 /nfs/dbraw/zinc/65/91/63/860659163.db2.gz DPNXOXWDVINPBX-CQSZACIVSA-N 1 2 411.506 4.202 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(Oc4ccccn4)c3)CC2)cc1 ZINC000438666495 864121066 /nfs/dbraw/zinc/12/10/66/864121066.db2.gz QZYLZYBCNMQMEF-UHFFFAOYSA-N 1 2 413.481 4.095 20 30 HIEDLO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cccc(-n4cc[nH+]c4)c3)c2)cc1 ZINC000439385725 864813380 /nfs/dbraw/zinc/81/33/80/864813380.db2.gz WJRLYMJQMDVXIM-UHFFFAOYSA-N 1 2 423.432 4.113 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2Cl)c1 ZINC000439837447 865149341 /nfs/dbraw/zinc/14/93/41/865149341.db2.gz ASBMACMKBPMKLE-KRWDZBQOSA-N 1 2 406.873 4.188 20 30 HIEDLO C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442895487 867726447 /nfs/dbraw/zinc/72/64/47/867726447.db2.gz FCRUDQYMBSAYIV-UHFFFAOYSA-N 1 2 407.948 4.023 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000444664132 868942003 /nfs/dbraw/zinc/94/20/03/868942003.db2.gz PZOOLMWRMXEBLK-KRWDZBQOSA-N 1 2 404.445 4.243 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000445819830 869842273 /nfs/dbraw/zinc/84/22/73/869842273.db2.gz CZFDTPQUKBQXID-IFMALSPDSA-N 1 2 416.481 4.113 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000445819830 869842275 /nfs/dbraw/zinc/84/22/75/869842275.db2.gz CZFDTPQUKBQXID-IFMALSPDSA-N 1 2 416.481 4.113 20 30 HIEDLO N#Cc1cc(S(=O)(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)ccc1Cl ZINC000446959020 870862833 /nfs/dbraw/zinc/86/28/33/870862833.db2.gz SIOMHLCJOWOHPO-UHFFFAOYSA-N 1 2 412.902 4.212 20 30 HIEDLO C=CC[C@H]1N(C(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCC1(C)C ZINC000447427981 871333399 /nfs/dbraw/zinc/33/33/99/871333399.db2.gz VHGGXWDDIUMBOG-OAQYLSRUSA-N 1 2 418.541 4.134 20 30 HIEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc2)c1C ZINC000461212853 874216862 /nfs/dbraw/zinc/21/68/62/874216862.db2.gz MUJAGCLECGITIE-UHFFFAOYSA-N 1 2 420.416 4.180 20 30 HIEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000468781005 882857040 /nfs/dbraw/zinc/85/70/40/882857040.db2.gz BKMFBNPWGGXDBF-HNNXBMFYSA-N 1 2 401.532 4.201 20 30 HIEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000468781005 882857041 /nfs/dbraw/zinc/85/70/41/882857041.db2.gz BKMFBNPWGGXDBF-HNNXBMFYSA-N 1 2 401.532 4.201 20 30 HIEDLO COc1ccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc2Cl)c(C)c1 ZINC000462172122 875268257 /nfs/dbraw/zinc/26/82/57/875268257.db2.gz SRGJSEKXALOXGN-GOTSBHOMSA-N 1 2 411.933 4.145 20 30 HIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000462254838 875377186 /nfs/dbraw/zinc/37/71/86/875377186.db2.gz IGJRCWSCBNYJOR-ZDUSSCGKSA-N 1 2 406.458 4.132 20 30 HIEDLO C=CCc1cc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)cc(OC)c1O ZINC000463527470 876599576 /nfs/dbraw/zinc/59/95/76/876599576.db2.gz KWZUUEMHBIJSJP-UHFFFAOYSA-N 1 2 414.509 4.729 20 30 HIEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)cs1 ZINC000463657597 876778283 /nfs/dbraw/zinc/77/82/83/876778283.db2.gz ZGQMNNHCDINKJT-AWEZNQCLSA-N 1 2 424.492 4.453 20 30 HIEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)cs1 ZINC000463657597 876778291 /nfs/dbraw/zinc/77/82/91/876778291.db2.gz ZGQMNNHCDINKJT-AWEZNQCLSA-N 1 2 424.492 4.453 20 30 HIEDLO NC(=O)[C@@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000463745301 876867869 /nfs/dbraw/zinc/86/78/69/876867869.db2.gz MHWLPTQRULMDAC-GOEBONIOSA-N 1 2 424.316 4.014 20 30 HIEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464577757 877801507 /nfs/dbraw/zinc/80/15/07/877801507.db2.gz KNXZYXCDWDWGDL-UHFFFAOYSA-N 1 2 424.751 4.423 20 30 HIEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464577757 877801519 /nfs/dbraw/zinc/80/15/19/877801519.db2.gz KNXZYXCDWDWGDL-UHFFFAOYSA-N 1 2 424.751 4.423 20 30 HIEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000464917274 878237215 /nfs/dbraw/zinc/23/72/15/878237215.db2.gz LRVMMPYSAIDVRU-UHFFFAOYSA-N 1 2 404.495 4.356 20 30 HIEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000464917274 878237223 /nfs/dbraw/zinc/23/72/23/878237223.db2.gz LRVMMPYSAIDVRU-UHFFFAOYSA-N 1 2 404.495 4.356 20 30 HIEDLO C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000466149535 879856105 /nfs/dbraw/zinc/85/61/05/879856105.db2.gz KOKMKCUHVHQSJB-VSDWSMLSSA-N 1 2 422.960 4.436 20 30 HIEDLO COc1cc(Br)c(CNc2[nH+]cccc2OCCCC#N)cc1OC ZINC000466619336 880390171 /nfs/dbraw/zinc/39/01/71/880390171.db2.gz PLTLZQBQUNECJR-UHFFFAOYSA-N 1 2 406.280 4.156 20 30 HIEDLO N#CCCCOc1ccc[nH+]c1NCc1cc(Br)c2c(c1)OCCCO2 ZINC000466631925 880404924 /nfs/dbraw/zinc/40/49/24/880404924.db2.gz DEUCCRIGCOGXID-UHFFFAOYSA-N 1 2 418.291 4.300 20 30 HIEDLO N#CCCCOc1ccc[nH+]c1NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000466637980 880411383 /nfs/dbraw/zinc/41/13/83/880411383.db2.gz SZTGTYGPSMUHBC-UHFFFAOYSA-N 1 2 412.291 4.324 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000469390793 883543586 /nfs/dbraw/zinc/54/35/86/883543586.db2.gz KLVBHZXCLUHXFP-JPYJTQIMSA-N 1 2 400.482 4.057 20 30 HIEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000504069544 912971299 /nfs/dbraw/zinc/97/12/99/912971299.db2.gz HSZZREDNXMEGMR-HSZRJFAPSA-N 1 2 408.502 4.087 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471971980 886804035 /nfs/dbraw/zinc/80/40/35/886804035.db2.gz YCADVMJAMQIXHX-QUCCMNQESA-N 1 2 402.420 4.241 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471971980 886804036 /nfs/dbraw/zinc/80/40/36/886804036.db2.gz YCADVMJAMQIXHX-QUCCMNQESA-N 1 2 402.420 4.241 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000471979874 886808753 /nfs/dbraw/zinc/80/87/53/886808753.db2.gz PRBUDUBCAYBPMN-ZWKOTPCHSA-N 1 2 424.373 4.422 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000471979874 886808755 /nfs/dbraw/zinc/80/87/55/886808755.db2.gz PRBUDUBCAYBPMN-ZWKOTPCHSA-N 1 2 424.373 4.422 20 30 HIEDLO C=CCCc1ccccc1NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000504448280 913256421 /nfs/dbraw/zinc/25/64/21/913256421.db2.gz IWZDQHRGTQRETI-UHFFFAOYSA-N 1 2 412.493 4.298 20 30 HIEDLO C=CCC[C@@H](NC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000474546855 889422896 /nfs/dbraw/zinc/42/28/96/889422896.db2.gz YZUJMBYZHFBCDI-LEWJYISDSA-N 1 2 411.550 4.081 20 30 HIEDLO C=CCC[C@@H](NC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000474546855 889422907 /nfs/dbraw/zinc/42/29/07/889422907.db2.gz YZUJMBYZHFBCDI-LEWJYISDSA-N 1 2 411.550 4.081 20 30 HIEDLO N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccn4cc[nH+]c4c3)c2)cc1 ZINC000474749228 889606690 /nfs/dbraw/zinc/60/66/90/889606690.db2.gz KYQNFTRLQVJERH-UHFFFAOYSA-N 1 2 411.465 4.301 20 30 HIEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1OC(F)F ZINC000475337733 890258210 /nfs/dbraw/zinc/25/82/10/890258210.db2.gz QZIUQRXDCAGXPJ-GOSISDBHSA-N 1 2 421.875 4.332 20 30 HIEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000475391708 890319346 /nfs/dbraw/zinc/31/93/46/890319346.db2.gz GKBHMQAXDABEAP-UHFFFAOYSA-N 1 2 416.525 4.038 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CCC(Oc3ccccc3C#N)CC1)C2 ZINC000475911673 890840250 /nfs/dbraw/zinc/84/02/50/890840250.db2.gz UPURWNVRMJWNFS-IVMQYODDSA-N 1 2 406.530 4.016 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CCC(Oc3ccccc3C#N)CC1)CC2 ZINC000475911673 890840254 /nfs/dbraw/zinc/84/02/54/890840254.db2.gz UPURWNVRMJWNFS-IVMQYODDSA-N 1 2 406.530 4.016 20 30 HIEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000478439039 893742969 /nfs/dbraw/zinc/74/29/69/893742969.db2.gz OMIJTYNZEJMPFH-UHFFFAOYSA-N 1 2 421.360 4.005 20 30 HIEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000478439039 893742990 /nfs/dbraw/zinc/74/29/90/893742990.db2.gz OMIJTYNZEJMPFH-UHFFFAOYSA-N 1 2 421.360 4.005 20 30 HIEDLO N#CCC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccc1 ZINC000480184836 895578094 /nfs/dbraw/zinc/57/80/94/895578094.db2.gz TVQMCGDPTPQYBR-QZTJIDSGSA-N 1 2 419.344 4.302 20 30 HIEDLO C=C(C)COc1cccc(NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000480430791 895824246 /nfs/dbraw/zinc/82/42/46/895824246.db2.gz GNSHRGQBZHAANX-NRFANRHFSA-N 1 2 423.557 4.396 20 30 HIEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000505542967 914241791 /nfs/dbraw/zinc/24/17/91/914241791.db2.gz NOQGFAQKFBWGDK-JOCHJYFZSA-N 1 2 419.431 4.415 20 30 HIEDLO COc1ccccc1[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC000505557673 914260597 /nfs/dbraw/zinc/26/05/97/914260597.db2.gz LMLOTUCMEHKVSO-HSZRJFAPSA-N 1 2 412.493 4.097 20 30 HIEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000483279654 898916301 /nfs/dbraw/zinc/91/63/01/898916301.db2.gz RMFAFBUTNMCTHN-QGZVFWFLSA-N 1 2 418.472 4.318 20 30 HIEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000483307845 898936959 /nfs/dbraw/zinc/93/69/59/898936959.db2.gz HTTHVFCXUQVOKC-UHFFFAOYSA-N 1 2 420.557 4.420 20 30 HIEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3Br)no2)cc1C#N ZINC000483328862 898956736 /nfs/dbraw/zinc/95/67/36/898956736.db2.gz WUIKJLDXWQNHNS-KRWDZBQOSA-N 1 2 412.291 4.046 20 30 HIEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3Br)no2)cc1C#N ZINC000483328862 898956742 /nfs/dbraw/zinc/95/67/42/898956742.db2.gz WUIKJLDXWQNHNS-KRWDZBQOSA-N 1 2 412.291 4.046 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000484350954 899900409 /nfs/dbraw/zinc/90/04/09/899900409.db2.gz HFQIXHLCQACOTO-SFHVURJKSA-N 1 2 411.468 4.242 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000484350954 899900413 /nfs/dbraw/zinc/90/04/13/899900413.db2.gz HFQIXHLCQACOTO-SFHVURJKSA-N 1 2 411.468 4.242 20 30 HIEDLO CCCCn1ncc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C(C)C ZINC000485133473 900434714 /nfs/dbraw/zinc/43/47/14/900434714.db2.gz DBHDQMMPPAOHHQ-UHFFFAOYSA-N 1 2 408.550 4.028 20 30 HIEDLO N#Cc1ccc(Br)c(C[NH2+][C@H](CCO)c2ccccc2Br)c1 ZINC000491677017 904682919 /nfs/dbraw/zinc/68/29/19/904682919.db2.gz QNQSNQVRNLWXEZ-QGZVFWFLSA-N 1 2 424.136 4.297 20 30 HIEDLO COc1cccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1OC(F)F ZINC000512421553 921148259 /nfs/dbraw/zinc/14/82/59/921148259.db2.gz TVCBIPFGCPTNLE-UHFFFAOYSA-N 1 2 424.451 4.039 20 30 HIEDLO Cc1csc(C2([NH2+]CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCC2)n1 ZINC000494808747 906008451 /nfs/dbraw/zinc/00/84/51/906008451.db2.gz LASAQLLWSIJCAQ-HNNXBMFYSA-N 1 2 400.573 4.453 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000512507093 921205532 /nfs/dbraw/zinc/20/55/32/921205532.db2.gz UTFQJAYEHWEUOB-GOSISDBHSA-N 1 2 416.541 4.037 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000512507093 921205540 /nfs/dbraw/zinc/20/55/40/921205540.db2.gz UTFQJAYEHWEUOB-GOSISDBHSA-N 1 2 416.541 4.037 20 30 HIEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)s2)c(C(F)(F)F)c1 ZINC000495067820 906219386 /nfs/dbraw/zinc/21/93/86/906219386.db2.gz PESIUGXQEJMKTC-KRWDZBQOSA-N 1 2 420.460 4.190 20 30 HIEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)s2)c(C(F)(F)F)c1 ZINC000495067820 906219401 /nfs/dbraw/zinc/21/94/01/906219401.db2.gz PESIUGXQEJMKTC-KRWDZBQOSA-N 1 2 420.460 4.190 20 30 HIEDLO CC[N@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621446 907100689 /nfs/dbraw/zinc/10/06/89/907100689.db2.gz VBLDJDQANIEFFG-ZDUSSCGKSA-N 1 2 415.419 4.475 20 30 HIEDLO CC[N@@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621446 907100706 /nfs/dbraw/zinc/10/07/06/907100706.db2.gz VBLDJDQANIEFFG-ZDUSSCGKSA-N 1 2 415.419 4.475 20 30 HIEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512832813 921336436 /nfs/dbraw/zinc/33/64/36/921336436.db2.gz JWFRZRQMXFPGBJ-IBGZPJMESA-N 1 2 414.481 4.035 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000499954638 909057546 /nfs/dbraw/zinc/05/75/46/909057546.db2.gz NETQYLSCPAFAEZ-UZLBHIALSA-N 1 2 417.912 4.054 20 30 HIEDLO C=CCc1cc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000501474521 910589734 /nfs/dbraw/zinc/58/97/34/910589734.db2.gz HYXJJFJEKHGISL-HDICACEKSA-N 1 2 424.541 4.294 20 30 HIEDLO C=CCc1cc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000501474521 910589738 /nfs/dbraw/zinc/58/97/38/910589738.db2.gz HYXJJFJEKHGISL-HDICACEKSA-N 1 2 424.541 4.294 20 30 HIEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2=O)cc1 ZINC000502638881 911672510 /nfs/dbraw/zinc/67/25/10/911672510.db2.gz ZLFSCFZHRWBPSN-BJKOFHAPSA-N 1 2 424.504 4.023 20 30 HIEDLO COc1ccc(-c2nc(CN3CC[NH+](Cc4cccc(C#N)c4)CC3)cs2)cc1 ZINC000506688305 915366454 /nfs/dbraw/zinc/36/64/54/915366454.db2.gz PCDUNJMLRIUSCI-UHFFFAOYSA-N 1 2 404.539 4.008 20 30 HIEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Br)cc1OC ZINC000506768549 915475493 /nfs/dbraw/zinc/47/54/93/915475493.db2.gz YDNIHJRUSQCEPQ-UHFFFAOYSA-N 1 2 419.319 4.093 20 30 HIEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)cc1OC ZINC000506768549 915475521 /nfs/dbraw/zinc/47/55/21/915475521.db2.gz YDNIHJRUSQCEPQ-UHFFFAOYSA-N 1 2 419.319 4.093 20 30 HIEDLO C=CCOc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000508420509 917209068 /nfs/dbraw/zinc/20/90/68/917209068.db2.gz FDNYAFYVMJOAFK-DHIUTWEWSA-N 1 2 402.498 4.176 20 30 HIEDLO C=CCOc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000508420513 917209256 /nfs/dbraw/zinc/20/92/56/917209256.db2.gz FDNYAFYVMJOAFK-PKTZIBPZSA-N 1 2 402.498 4.176 20 30 HIEDLO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000508944365 917701798 /nfs/dbraw/zinc/70/17/98/917701798.db2.gz DEYRNOSZEFUERG-UHFFFAOYSA-N 1 2 423.948 4.115 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)c1 ZINC000511111322 919722418 /nfs/dbraw/zinc/72/24/18/919722418.db2.gz XKMQVAUFBSRTMU-UHFFFAOYSA-N 1 2 422.472 4.263 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)c1 ZINC000511111322 919722420 /nfs/dbraw/zinc/72/24/20/919722420.db2.gz XKMQVAUFBSRTMU-UHFFFAOYSA-N 1 2 422.472 4.263 20 30 HIEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000513745765 922067961 /nfs/dbraw/zinc/06/79/61/922067961.db2.gz GJKMBHGGBYVVLK-OAHLLOKOSA-N 1 2 401.894 4.100 20 30 HIEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000513745765 922067971 /nfs/dbraw/zinc/06/79/71/922067971.db2.gz GJKMBHGGBYVVLK-OAHLLOKOSA-N 1 2 401.894 4.100 20 30 HIEDLO Cc1csc(-c2ccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)n1 ZINC000513975449 922295302 /nfs/dbraw/zinc/29/53/02/922295302.db2.gz DAIDYOJVKACJAQ-UHFFFAOYSA-N 1 2 417.538 4.340 20 30 HIEDLO C=CC[N@H+](Cc1csc(Cc2ccccc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256174 927114890 /nfs/dbraw/zinc/11/48/90/927114890.db2.gz PBCIRLIFLXFASG-SFHVURJKSA-N 1 2 416.554 4.459 20 30 HIEDLO C=CC[N@@H+](Cc1csc(Cc2ccccc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256174 927114912 /nfs/dbraw/zinc/11/49/12/927114912.db2.gz PBCIRLIFLXFASG-SFHVURJKSA-N 1 2 416.554 4.459 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520197339 928383566 /nfs/dbraw/zinc/38/35/66/928383566.db2.gz CORXKYWMSOIIFD-AZUAARDMSA-N 1 2 424.570 4.103 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520197339 928383583 /nfs/dbraw/zinc/38/35/83/928383583.db2.gz CORXKYWMSOIIFD-AZUAARDMSA-N 1 2 424.570 4.103 20 30 HIEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000521166015 929037825 /nfs/dbraw/zinc/03/78/25/929037825.db2.gz JCYSXORSOZQBMK-UHFFFAOYSA-N 1 2 401.514 4.171 20 30 HIEDLO N#Cc1ccc(SCC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000521982887 929610525 /nfs/dbraw/zinc/61/05/25/929610525.db2.gz XTGCZXZGEBHSMG-GOSISDBHSA-N 1 2 417.937 4.224 20 30 HIEDLO N#Cc1ccc(SCC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000521982887 929610530 /nfs/dbraw/zinc/61/05/30/929610530.db2.gz XTGCZXZGEBHSMG-GOSISDBHSA-N 1 2 417.937 4.224 20 30 HIEDLO N#Cc1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)sc2c1CCCCCC2 ZINC000524969041 929932948 /nfs/dbraw/zinc/93/29/48/929932948.db2.gz IZKSVKSHQBZCDZ-FQEVSTJZSA-N 1 2 409.555 4.118 20 30 HIEDLO N#Cc1c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)sc2c1CCCCCC2 ZINC000524969041 929932959 /nfs/dbraw/zinc/93/29/59/929932959.db2.gz IZKSVKSHQBZCDZ-FQEVSTJZSA-N 1 2 409.555 4.118 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000525249131 930106141 /nfs/dbraw/zinc/10/61/41/930106141.db2.gz TVKGYBZSNAVWCL-MBSDFSHPSA-N 1 2 403.482 4.303 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000525249129 930106638 /nfs/dbraw/zinc/10/66/38/930106638.db2.gz TVKGYBZSNAVWCL-FDDCHVKYSA-N 1 2 403.482 4.303 20 30 HIEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000531587474 931111222 /nfs/dbraw/zinc/11/12/22/931111222.db2.gz USFOOSPYXSBUEO-CVDCTZTESA-N 1 2 421.541 4.029 20 30 HIEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000531587474 931111225 /nfs/dbraw/zinc/11/12/25/931111225.db2.gz USFOOSPYXSBUEO-CVDCTZTESA-N 1 2 421.541 4.029 20 30 HIEDLO Cc1ccc(OC2CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 ZINC000532975898 931722856 /nfs/dbraw/zinc/72/28/56/931722856.db2.gz VVJWWWVCZVXNIA-INIZCTEOSA-N 1 2 409.555 4.287 20 30 HIEDLO COc1ccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1C#N ZINC000533331898 931840491 /nfs/dbraw/zinc/84/04/91/931840491.db2.gz IFEBTRZFKIUBDZ-UHFFFAOYSA-N 1 2 405.527 4.036 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)Nc4oc(C)c(C)c4C#N)CC3)c2c1 ZINC000533350594 931846236 /nfs/dbraw/zinc/84/62/36/931846236.db2.gz GUOJYGAJFHJDRI-OAHLLOKOSA-N 1 2 418.497 4.374 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)Nc4oc(C)c(C)c4C#N)CC3)c2c1 ZINC000533350594 931846239 /nfs/dbraw/zinc/84/62/39/931846239.db2.gz GUOJYGAJFHJDRI-OAHLLOKOSA-N 1 2 418.497 4.374 20 30 HIEDLO COC(=O)c1cccc(C[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C2CC2)c1C#N ZINC000533777084 932029066 /nfs/dbraw/zinc/02/90/66/932029066.db2.gz DKGFZALKRNBDOD-UHFFFAOYSA-N 1 2 416.424 4.119 20 30 HIEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C2CC2)c1C#N ZINC000533777084 932029075 /nfs/dbraw/zinc/02/90/75/932029075.db2.gz DKGFZALKRNBDOD-UHFFFAOYSA-N 1 2 416.424 4.119 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000534155535 932305851 /nfs/dbraw/zinc/30/58/51/932305851.db2.gz NACYWSCCNVIGND-GOSISDBHSA-N 1 2 418.884 4.408 20 30 HIEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CC[NH+](Cc4ccsc4)CC3)c2)cc1 ZINC000534526984 932546140 /nfs/dbraw/zinc/54/61/40/932546140.db2.gz RAXPGYDKDRXPBA-UHFFFAOYSA-N 1 2 402.523 4.321 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)c1C#N ZINC000534940149 932847942 /nfs/dbraw/zinc/84/79/42/932847942.db2.gz PNQUPGMDCPCBHO-UHFFFAOYSA-N 1 2 417.488 4.103 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)c1C#N ZINC000534940149 932847945 /nfs/dbraw/zinc/84/79/45/932847945.db2.gz PNQUPGMDCPCBHO-UHFFFAOYSA-N 1 2 417.488 4.103 20 30 HIEDLO Cc1ccc2nc([C@H]3CCC[N@H+](CC(=O)Nc4ccc(C#N)c(Cl)c4)C3)[nH]c2c1 ZINC000534951634 932855013 /nfs/dbraw/zinc/85/50/13/932855013.db2.gz XFHKOXXNNIWSCD-INIZCTEOSA-N 1 2 407.905 4.215 20 30 HIEDLO Cc1ccc2nc([C@H]3CCC[N@@H+](CC(=O)Nc4ccc(C#N)c(Cl)c4)C3)[nH]c2c1 ZINC000534951634 932855015 /nfs/dbraw/zinc/85/50/15/932855015.db2.gz XFHKOXXNNIWSCD-INIZCTEOSA-N 1 2 407.905 4.215 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000534954631 932856958 /nfs/dbraw/zinc/85/69/58/932856958.db2.gz QLRKKJWTODBQMK-QGZVFWFLSA-N 1 2 405.477 4.131 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000534954631 932856960 /nfs/dbraw/zinc/85/69/60/932856960.db2.gz QLRKKJWTODBQMK-QGZVFWFLSA-N 1 2 405.477 4.131 20 30 HIEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)c1C#N ZINC000535136691 932956499 /nfs/dbraw/zinc/95/64/99/932956499.db2.gz DFNVKTJCPGQCPV-QHCPKHFHSA-N 1 2 404.441 4.372 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 ZINC000535150506 932968565 /nfs/dbraw/zinc/96/85/65/932968565.db2.gz ZEXWOIJXRNVRRW-MRXNPFEDSA-N 1 2 406.873 4.367 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000535977640 933542086 /nfs/dbraw/zinc/54/20/86/933542086.db2.gz IXGUSBDLQLZYOZ-INIZCTEOSA-N 1 2 405.433 4.245 20 30 HIEDLO N#Cc1cccc(C2([NH2+]Cc3ncc(Br)cc3Br)CC2)c1 ZINC000562842227 945124829 /nfs/dbraw/zinc/12/48/29/945124829.db2.gz OYFHPJMCLLVJIR-UHFFFAOYSA-N 1 2 407.109 4.257 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)C[NH+]1CCC(Cc3cccnc3)CC1)CCCCC2 ZINC000538945659 938744000 /nfs/dbraw/zinc/74/40/00/938744000.db2.gz LFUGJMFIZSCPKC-UHFFFAOYSA-N 1 2 408.571 4.177 20 30 HIEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1OC ZINC000539862565 938960809 /nfs/dbraw/zinc/96/08/09/938960809.db2.gz RQRSFGVDPMXZCE-NRFANRHFSA-N 1 2 405.441 4.435 20 30 HIEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1OC ZINC000539862565 938960810 /nfs/dbraw/zinc/96/08/10/938960810.db2.gz RQRSFGVDPMXZCE-NRFANRHFSA-N 1 2 405.441 4.435 20 30 HIEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000540237965 939158703 /nfs/dbraw/zinc/15/87/03/939158703.db2.gz WCZKNYOZGFDXQV-HXUWFJFHSA-N 1 2 408.550 4.207 20 30 HIEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000540237965 939158713 /nfs/dbraw/zinc/15/87/13/939158713.db2.gz WCZKNYOZGFDXQV-HXUWFJFHSA-N 1 2 408.550 4.207 20 30 HIEDLO N#Cc1ccccc1-c1ccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000540270653 939178858 /nfs/dbraw/zinc/17/88/58/939178858.db2.gz FZQOSQPSRVBPQJ-UHFFFAOYSA-N 1 2 421.504 4.469 20 30 HIEDLO N#Cc1ccccc1-c1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000540275450 939179972 /nfs/dbraw/zinc/17/99/72/939179972.db2.gz FPXCVRZGZRTNMD-UHFFFAOYSA-N 1 2 407.477 4.410 20 30 HIEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000540637296 939326311 /nfs/dbraw/zinc/32/63/11/939326311.db2.gz RWWIJTNMQYDHSA-OAQYLSRUSA-N 1 2 415.497 4.339 20 30 HIEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)o1 ZINC000541625181 939573842 /nfs/dbraw/zinc/57/38/42/939573842.db2.gz JRZLNVDAZRQXNZ-IBGZPJMESA-N 1 2 403.910 4.028 20 30 HIEDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000542556922 939843386 /nfs/dbraw/zinc/84/33/86/939843386.db2.gz LNDLDMAAVSROKO-YOEHRIQHSA-N 1 2 401.532 4.094 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1 ZINC000543524331 940095831 /nfs/dbraw/zinc/09/58/31/940095831.db2.gz LPIIJDWSEYJYKN-UHFFFAOYSA-N 1 2 415.497 4.356 20 30 HIEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@@H](C)O1 ZINC000544236961 940364051 /nfs/dbraw/zinc/36/40/51/940364051.db2.gz YEZDWVHCSDCYQE-RTBURBONSA-N 1 2 418.541 4.364 20 30 HIEDLO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000544459503 940439980 /nfs/dbraw/zinc/43/99/80/940439980.db2.gz ULKABCSLKYLXFI-LLVKDONJSA-N 1 2 402.829 4.366 20 30 HIEDLO Cc1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)nn1-c1cccc(C#N)c1 ZINC000546281977 940761745 /nfs/dbraw/zinc/76/17/45/940761745.db2.gz AZNLJWJALPCTKY-UHFFFAOYSA-N 1 2 407.437 4.014 20 30 HIEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798515 941124517 /nfs/dbraw/zinc/12/45/17/941124517.db2.gz APPZCRHERAIBJQ-VQTJNVASSA-N 1 2 412.537 4.358 20 30 HIEDLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC(C#N)(c2ccccn2)CC1 ZINC000548821698 941125397 /nfs/dbraw/zinc/12/53/97/941125397.db2.gz WVZKWULQTOZRHN-UHFFFAOYSA-N 1 2 414.509 4.485 20 30 HIEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000552517981 941693629 /nfs/dbraw/zinc/69/36/29/941693629.db2.gz RISQXAJFEVLNGW-OAHLLOKOSA-N 1 2 406.511 4.038 20 30 HIEDLO N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000553621082 941922967 /nfs/dbraw/zinc/92/29/67/941922967.db2.gz YFIRFBQYLMNIAF-UHFFFAOYSA-N 1 2 409.449 4.029 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)c1C#N ZINC000554245436 942076589 /nfs/dbraw/zinc/07/65/89/942076589.db2.gz BJWNHUZKXDHKOX-HSZRJFAPSA-N 1 2 413.525 4.196 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)c1C#N ZINC000554245436 942076596 /nfs/dbraw/zinc/07/65/96/942076596.db2.gz BJWNHUZKXDHKOX-HSZRJFAPSA-N 1 2 413.525 4.196 20 30 HIEDLO CC(C)(C)C[C@@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000554565196 942168684 /nfs/dbraw/zinc/16/86/84/942168684.db2.gz BPCCLCCOJSMFNK-OAQYLSRUSA-N 1 2 422.548 4.372 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000554658479 942189812 /nfs/dbraw/zinc/18/98/12/942189812.db2.gz LLFPEYXJMNZLLC-JOCHJYFZSA-N 1 2 409.555 4.122 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000554658479 942189818 /nfs/dbraw/zinc/18/98/18/942189818.db2.gz LLFPEYXJMNZLLC-JOCHJYFZSA-N 1 2 409.555 4.122 20 30 HIEDLO COC(=O)c1cccc(-c2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)cs2)c1 ZINC000554745980 942218555 /nfs/dbraw/zinc/21/85/55/942218555.db2.gz RNENHNAXTREWRC-UHFFFAOYSA-N 1 2 421.522 4.117 20 30 HIEDLO COC(=O)c1cccc(-c2nc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)cs2)c1 ZINC000554745980 942218564 /nfs/dbraw/zinc/21/85/64/942218564.db2.gz RNENHNAXTREWRC-UHFFFAOYSA-N 1 2 421.522 4.117 20 30 HIEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000557399378 943103056 /nfs/dbraw/zinc/10/30/56/943103056.db2.gz NEQMRHRXWZGQHI-UHFFFAOYSA-N 1 2 412.493 4.153 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000558627882 943620461 /nfs/dbraw/zinc/62/04/61/943620461.db2.gz GNZRDXCZFIBAHJ-GOSISDBHSA-N 1 2 415.324 4.051 20 30 HIEDLO N#Cc1ccc(Br)c(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000561903848 944848182 /nfs/dbraw/zinc/84/81/82/944848182.db2.gz ALCHSPBVUXYXNU-DOTOQJQBSA-N 1 2 403.345 4.321 20 30 HIEDLO N#Cc1ccc(Br)c(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000561903848 944848188 /nfs/dbraw/zinc/84/81/88/944848188.db2.gz ALCHSPBVUXYXNU-DOTOQJQBSA-N 1 2 403.345 4.321 20 30 HIEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000567786995 946409046 /nfs/dbraw/zinc/40/90/46/946409046.db2.gz GGRWZUGATHPJCU-UHFFFAOYSA-N 1 2 416.403 4.276 20 30 HIEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000567786995 946409057 /nfs/dbraw/zinc/40/90/57/946409057.db2.gz GGRWZUGATHPJCU-UHFFFAOYSA-N 1 2 416.403 4.276 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000572519219 947926184 /nfs/dbraw/zinc/92/61/84/947926184.db2.gz AIFMPPLKPPKDHH-SFHVURJKSA-N 1 2 407.514 4.004 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000572519219 947926212 /nfs/dbraw/zinc/92/62/12/947926212.db2.gz AIFMPPLKPPKDHH-SFHVURJKSA-N 1 2 407.514 4.004 20 30 HIEDLO C=CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nnc1[C@@H]1COc2ccccc2O1 ZINC000009155347 845561374 /nfs/dbraw/zinc/56/13/74/845561374.db2.gz VYEJUPHILBNQOS-IBGZPJMESA-N 1 2 419.510 4.225 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccc(-c4ccccc4F)o3)CC2)cc1 ZINC000017843754 846273984 /nfs/dbraw/zinc/27/39/84/846273984.db2.gz XYWYSJMJEDOETB-UHFFFAOYSA-N 1 2 417.484 4.234 20 30 HIEDLO N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000029003356 847491268 /nfs/dbraw/zinc/49/12/68/847491268.db2.gz IOKAIHWTGZZFQO-UHFFFAOYSA-N 1 2 420.498 4.184 20 30 HIEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000029655815 847598358 /nfs/dbraw/zinc/59/83/58/847598358.db2.gz TVGAOHXJTJHPEC-INIZCTEOSA-N 1 2 416.447 4.165 20 30 HIEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031896715 847962434 /nfs/dbraw/zinc/96/24/34/847962434.db2.gz NMWFKSRVCLIVQW-FOIQADDNSA-N 1 2 415.896 4.071 20 30 HIEDLO N#Cc1ccccc1COc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000046744221 848924387 /nfs/dbraw/zinc/92/43/87/848924387.db2.gz IVHDTLFBGCWLCA-UHFFFAOYSA-N 1 2 412.493 4.062 20 30 HIEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000052534725 849594162 /nfs/dbraw/zinc/59/41/62/849594162.db2.gz GIPIWSUHZMOXOC-UHFFFAOYSA-N 1 2 419.872 4.330 20 30 HIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000053985289 849786477 /nfs/dbraw/zinc/78/64/77/849786477.db2.gz XTHJMKJEDQWGCC-UHFFFAOYSA-N 1 2 419.978 4.132 20 30 HIEDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)cc1 ZINC000054295789 849842476 /nfs/dbraw/zinc/84/24/76/849842476.db2.gz JWLXOVLCZQXTAR-UHFFFAOYSA-N 1 2 417.553 4.453 20 30 HIEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058773055 850921234 /nfs/dbraw/zinc/92/12/34/850921234.db2.gz DNSIYTDBNAWBBS-HNNXBMFYSA-N 1 2 417.340 4.010 20 30 HIEDLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000437145097 862337002 /nfs/dbraw/zinc/33/70/02/862337002.db2.gz TWEGTAGDLFEHLC-FQEVSTJZSA-N 1 2 400.404 4.254 20 30 HIEDLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000437145097 862337025 /nfs/dbraw/zinc/33/70/25/862337025.db2.gz TWEGTAGDLFEHLC-FQEVSTJZSA-N 1 2 400.404 4.254 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065964921 852333786 /nfs/dbraw/zinc/33/37/86/852333786.db2.gz SKBUJBUTDPTTEI-UHFFFAOYSA-N 1 2 415.603 4.064 20 30 HIEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000110480890 853107300 /nfs/dbraw/zinc/10/73/00/853107300.db2.gz MOHLKBQTSAWJIV-SVMVAKDDSA-N 1 2 422.529 4.126 20 30 HIEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000110480890 853107305 /nfs/dbraw/zinc/10/73/05/853107305.db2.gz MOHLKBQTSAWJIV-SVMVAKDDSA-N 1 2 422.529 4.126 20 30 HIEDLO N#Cc1ccc(NC(=O)C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1Cl ZINC000165104140 853650278 /nfs/dbraw/zinc/65/02/78/853650278.db2.gz FTXYYXTWHGZKMT-QFIPXVFZSA-N 1 2 418.884 4.120 20 30 HIEDLO N#Cc1cc(F)ccc1NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000301375836 854375731 /nfs/dbraw/zinc/37/57/31/854375731.db2.gz RHTJHMUXAQZMFD-UHFFFAOYSA-N 1 2 405.452 4.170 20 30 HIEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCCCCC3)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000301387690 854379875 /nfs/dbraw/zinc/37/98/75/854379875.db2.gz DISFIIJMPOGWBX-UHFFFAOYSA-N 1 2 402.458 4.402 20 30 HIEDLO COc1ccc([C@@H](CNc2ccc(C(F)(F)F)c(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000301726886 854453568 /nfs/dbraw/zinc/45/35/68/854453568.db2.gz AUQCGOWTFPTGFE-HXUWFJFHSA-N 1 2 405.420 4.071 20 30 HIEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000303689138 855134929 /nfs/dbraw/zinc/13/49/29/855134929.db2.gz LLDXMCDLLFZKLC-INIZCTEOSA-N 1 2 407.905 4.140 20 30 HIEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](c2ccc(F)cc2)O1 ZINC000303883734 855269414 /nfs/dbraw/zinc/26/94/14/855269414.db2.gz JKBLISZCHUZCCI-KUHUBIRLSA-N 1 2 413.518 4.038 20 30 HIEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](c2ccc(F)cc2)O1 ZINC000303883734 855269423 /nfs/dbraw/zinc/26/94/23/855269423.db2.gz JKBLISZCHUZCCI-KUHUBIRLSA-N 1 2 413.518 4.038 20 30 HIEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000426116749 856118403 /nfs/dbraw/zinc/11/84/03/856118403.db2.gz DHTTVUWSJBDHFZ-UHFFFAOYSA-N 1 2 403.486 4.196 20 30 HIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428800016 857348837 /nfs/dbraw/zinc/34/88/37/857348837.db2.gz XANGXEJMUISUPL-LJQANCHMSA-N 1 2 406.530 4.292 20 30 HIEDLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428800016 857348839 /nfs/dbraw/zinc/34/88/39/857348839.db2.gz XANGXEJMUISUPL-LJQANCHMSA-N 1 2 406.530 4.292 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000429157963 857535149 /nfs/dbraw/zinc/53/51/49/857535149.db2.gz WPQQHMZQVGDQHW-DLBZAZTESA-N 1 2 403.960 4.245 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000429157963 857535160 /nfs/dbraw/zinc/53/51/60/857535160.db2.gz WPQQHMZQVGDQHW-DLBZAZTESA-N 1 2 403.960 4.245 20 30 HIEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)sc2C1 ZINC000429309353 857598945 /nfs/dbraw/zinc/59/89/45/857598945.db2.gz MPHAOWXPXLLGCU-HRCADAONSA-N 1 2 417.619 4.333 20 30 HIEDLO N#Cc1ccc(Br)c(C[N@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430335017 858125434 /nfs/dbraw/zinc/12/54/34/858125434.db2.gz ALHBSNJVDACVQH-UHFFFAOYSA-N 1 2 407.315 4.356 20 30 HIEDLO N#Cc1ccc(Br)c(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430335017 858125436 /nfs/dbraw/zinc/12/54/36/858125436.db2.gz ALHBSNJVDACVQH-UHFFFAOYSA-N 1 2 407.315 4.356 20 30 HIEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000431880126 858853154 /nfs/dbraw/zinc/85/31/54/858853154.db2.gz GPGAQLJUBIWXCW-UHFFFAOYSA-N 1 2 414.465 4.143 20 30 HIEDLO COc1ccc(NC(=O)c2nnc(C[NH2+][C@@H](CCCC#N)c3ccccc3)s2)cc1 ZINC000433028974 859488312 /nfs/dbraw/zinc/48/83/12/859488312.db2.gz QSQOPTMMCXAXKM-IBGZPJMESA-N 1 2 421.526 4.324 20 30 HIEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000433267286 859603923 /nfs/dbraw/zinc/60/39/23/859603923.db2.gz DMCNEKVFHUYGKM-UHFFFAOYSA-N 1 2 413.481 4.094 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)Cc1cccc(C#N)c1 ZINC000434831238 860511354 /nfs/dbraw/zinc/51/13/54/860511354.db2.gz WQSBNJOLDHDMBL-UHFFFAOYSA-N 1 2 413.525 4.296 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)Cc1cccc(C#N)c1 ZINC000434831238 860511362 /nfs/dbraw/zinc/51/13/62/860511362.db2.gz WQSBNJOLDHDMBL-UHFFFAOYSA-N 1 2 413.525 4.296 20 30 HIEDLO N#CCCn1cc(C[NH+]2CC(OCc3cccc4ccccc43)C2)c(-c2ccncc2)n1 ZINC000435133998 860657654 /nfs/dbraw/zinc/65/76/54/860657654.db2.gz VBRMFENQMZUODF-UHFFFAOYSA-N 1 2 423.520 4.413 20 30 HIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000438064334 863438566 /nfs/dbraw/zinc/43/85/66/863438566.db2.gz JNYQMABHIVXTJF-RBBKRZOGSA-N 1 2 415.497 4.266 20 30 HIEDLO N#CCC[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000438865647 864359440 /nfs/dbraw/zinc/35/94/40/864359440.db2.gz RYAWDYFVPPVMHR-XMSQKQJNSA-N 1 2 412.484 4.273 20 30 HIEDLO N#CCC[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000438865647 864359449 /nfs/dbraw/zinc/35/94/49/864359449.db2.gz RYAWDYFVPPVMHR-XMSQKQJNSA-N 1 2 412.484 4.273 20 30 HIEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)c1 ZINC000439005504 864459031 /nfs/dbraw/zinc/45/90/31/864459031.db2.gz PYWHZXMFURVZTM-UHFFFAOYSA-N 1 2 409.440 4.154 20 30 HIEDLO N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439032034 864488853 /nfs/dbraw/zinc/48/88/53/864488853.db2.gz DWTMPOVBBWRYSU-UHFFFAOYSA-N 1 2 400.486 4.229 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(F)(c3cccc(Cl)c3)CC2)C1=O ZINC000439312485 864745551 /nfs/dbraw/zinc/74/55/51/864745551.db2.gz CLRDUSBODIYWSX-KRWDZBQOSA-N 1 2 403.910 4.339 20 30 HIEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439332073 864770820 /nfs/dbraw/zinc/77/08/20/864770820.db2.gz ZAMTYJZKWYYSSH-UHFFFAOYSA-N 1 2 404.333 4.200 20 30 HIEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000439779139 865103061 /nfs/dbraw/zinc/10/30/61/865103061.db2.gz CAWGHBXCIDQETR-FDDCHVKYSA-N 1 2 422.598 4.378 20 30 HIEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000439779139 865103065 /nfs/dbraw/zinc/10/30/65/865103065.db2.gz CAWGHBXCIDQETR-FDDCHVKYSA-N 1 2 422.598 4.378 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440556129 865818005 /nfs/dbraw/zinc/81/80/05/865818005.db2.gz DHQOBHSXTWXIGV-KATBDVFWSA-N 1 2 413.587 4.105 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440556129 865818006 /nfs/dbraw/zinc/81/80/06/865818006.db2.gz DHQOBHSXTWXIGV-KATBDVFWSA-N 1 2 413.587 4.105 20 30 HIEDLO N#Cc1cnc2c(Br)cccc2c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000440664014 865859790 /nfs/dbraw/zinc/85/97/90/865859790.db2.gz JSBRWKIMJDZJPM-UHFFFAOYSA-N 1 2 408.303 4.476 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441085088 866179362 /nfs/dbraw/zinc/17/93/62/866179362.db2.gz KUHCWFHJCRJZCV-JSGCOSHPSA-N 1 2 408.449 4.240 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441085088 866179370 /nfs/dbraw/zinc/17/93/70/866179370.db2.gz KUHCWFHJCRJZCV-JSGCOSHPSA-N 1 2 408.449 4.240 20 30 HIEDLO Cc1ccc(C[N@H+](CCC(=O)N(C)CCC#N)Cc2ccco2)c(Br)c1 ZINC000441267923 866342368 /nfs/dbraw/zinc/34/23/68/866342368.db2.gz PSFQYNYISKJQFH-UHFFFAOYSA-N 1 2 418.335 4.115 20 30 HIEDLO Cc1ccc(C[N@@H+](CCC(=O)N(C)CCC#N)Cc2ccco2)c(Br)c1 ZINC000441267923 866342387 /nfs/dbraw/zinc/34/23/87/866342387.db2.gz PSFQYNYISKJQFH-UHFFFAOYSA-N 1 2 418.335 4.115 20 30 HIEDLO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(CC#N)cc2)c2ccccc2OC)cc1 ZINC000443451146 868038610 /nfs/dbraw/zinc/03/86/10/868038610.db2.gz FCZHHHWHSFGFDP-VWLOTQADSA-N 1 2 415.493 4.088 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1C ZINC000468285083 882206595 /nfs/dbraw/zinc/20/65/95/882206595.db2.gz CHMCCFJZFDPUDQ-LJQANCHMSA-N 1 2 409.555 4.349 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1C ZINC000468285083 882206617 /nfs/dbraw/zinc/20/66/17/882206617.db2.gz CHMCCFJZFDPUDQ-LJQANCHMSA-N 1 2 409.555 4.349 20 30 HIEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC2)c(Cl)c1 ZINC000444777389 868998058 /nfs/dbraw/zinc/99/80/58/868998058.db2.gz SBCVXVCCQMJQCA-UHFFFAOYSA-N 1 2 422.960 4.160 20 30 HIEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000448520678 872509977 /nfs/dbraw/zinc/50/99/77/872509977.db2.gz OIFTXCQWYWLLTA-OAHLLOKOSA-N 1 2 402.420 4.488 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000460813472 873694599 /nfs/dbraw/zinc/69/45/99/873694599.db2.gz CXIYOZYLUCRUFO-LEWJYISDSA-N 1 2 414.336 4.313 20 30 HIEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000462908130 875932780 /nfs/dbraw/zinc/93/27/80/875932780.db2.gz WAOCHTVMMJLEFV-CYBMUJFWSA-N 1 2 405.727 4.252 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(C4CC4)nc4ccc(F)cc43)CC2)cc1 ZINC000463283449 876342253 /nfs/dbraw/zinc/34/22/53/876342253.db2.gz STXMUOHFJPSXNA-UHFFFAOYSA-N 1 2 414.484 4.081 20 30 HIEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)ccc1Cl ZINC000463411294 876465344 /nfs/dbraw/zinc/46/53/44/876465344.db2.gz FFOIQBXAGIVSMO-UHFFFAOYSA-N 1 2 409.917 4.148 20 30 HIEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)ccc1Cl ZINC000463411294 876465348 /nfs/dbraw/zinc/46/53/48/876465348.db2.gz FFOIQBXAGIVSMO-UHFFFAOYSA-N 1 2 409.917 4.148 20 30 HIEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000468999661 883065697 /nfs/dbraw/zinc/06/56/97/883065697.db2.gz OHIOXMMEAWOXDG-UHFFFAOYSA-N 1 2 416.294 4.311 20 30 HIEDLO N#C[C@@H](C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464423386 877632825 /nfs/dbraw/zinc/63/28/25/877632825.db2.gz ZCWIUBAOZVLEHU-GFCCVEGCSA-N 1 2 407.302 4.109 20 30 HIEDLO N#Cc1ccc(F)c(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000465538018 878998112 /nfs/dbraw/zinc/99/81/12/878998112.db2.gz HSFFOCCOBNMMIL-IBGZPJMESA-N 1 2 418.875 4.126 20 30 HIEDLO N#CCCCOc1cccnc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000466607588 880377753 /nfs/dbraw/zinc/37/77/53/880377753.db2.gz DZYBCFLNJGOMGZ-TZIWHRDSSA-N 1 2 416.485 4.011 20 30 HIEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2ncccc2OCCCC#N)c(C)c1 ZINC000466617765 880389120 /nfs/dbraw/zinc/38/91/20/880389120.db2.gz RFMRDNBFYMBSDJ-HXUWFJFHSA-N 1 2 418.501 4.141 20 30 HIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000467191255 880919546 /nfs/dbraw/zinc/91/95/46/880919546.db2.gz LIVVAOCDXHRFCH-LJQANCHMSA-N 1 2 401.514 4.128 20 30 HIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000467191255 880919553 /nfs/dbraw/zinc/91/95/53/880919553.db2.gz LIVVAOCDXHRFCH-LJQANCHMSA-N 1 2 401.514 4.128 20 30 HIEDLO N#CCCCn1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccccc21 ZINC000469180410 883281139 /nfs/dbraw/zinc/28/11/39/883281139.db2.gz MEEFWTXZPZIETA-UHFFFAOYSA-N 1 2 415.541 4.498 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000469938794 884133446 /nfs/dbraw/zinc/13/34/46/884133446.db2.gz MQXHLMHSFMICDK-UHFFFAOYSA-N 1 2 406.486 4.042 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000503822807 912831926 /nfs/dbraw/zinc/83/19/26/912831926.db2.gz XMJNDSYWMGZULA-SANMLTNESA-N 1 2 424.548 4.369 20 30 HIEDLO C=CCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nnc1-c1ccc(Cl)cc1 ZINC000470437292 884834995 /nfs/dbraw/zinc/83/49/95/884834995.db2.gz UEPYPUXEPWWAMI-UHFFFAOYSA-N 1 2 420.026 4.293 20 30 HIEDLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000471022070 885527070 /nfs/dbraw/zinc/52/70/70/885527070.db2.gz LLUARMLLJZQMLY-UHFFFAOYSA-N 1 2 422.554 4.410 20 30 HIEDLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000471022070 885527080 /nfs/dbraw/zinc/52/70/80/885527080.db2.gz LLUARMLLJZQMLY-UHFFFAOYSA-N 1 2 422.554 4.410 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473160340 887940102 /nfs/dbraw/zinc/94/01/02/887940102.db2.gz GCVOOVNGOGXQTM-GAJHUEQPSA-N 1 2 407.539 4.151 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473160340 887940103 /nfs/dbraw/zinc/94/01/03/887940103.db2.gz GCVOOVNGOGXQTM-GAJHUEQPSA-N 1 2 407.539 4.151 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473173385 887950644 /nfs/dbraw/zinc/95/06/44/887950644.db2.gz WEDBQOQVYPOMEK-UPCLLVRISA-N 1 2 421.566 4.347 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473173385 887950651 /nfs/dbraw/zinc/95/06/51/887950651.db2.gz WEDBQOQVYPOMEK-UPCLLVRISA-N 1 2 421.566 4.347 20 30 HIEDLO C=CCNc1ncc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000474041223 888885004 /nfs/dbraw/zinc/88/50/04/888885004.db2.gz GLUUVFLZFDDGQA-UHFFFAOYSA-N 1 2 418.566 4.288 20 30 HIEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000474274408 889137793 /nfs/dbraw/zinc/13/77/93/889137793.db2.gz GCZGURADGBOTED-GOSISDBHSA-N 1 2 409.559 4.088 20 30 HIEDLO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000474274408 889137803 /nfs/dbraw/zinc/13/78/03/889137803.db2.gz GCZGURADGBOTED-GOSISDBHSA-N 1 2 409.559 4.088 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000474901700 889760759 /nfs/dbraw/zinc/76/07/59/889760759.db2.gz VMJHNJPDBRBLEY-UHFFFAOYSA-N 1 2 424.329 4.074 20 30 HIEDLO CC1(C)OCc2cc(C[NH+]3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)ccc2O1 ZINC000475361933 890289584 /nfs/dbraw/zinc/28/95/84/890289584.db2.gz QFILEGMSZMNSLR-NRFANRHFSA-N 1 2 411.933 4.368 20 30 HIEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000475391744 890319012 /nfs/dbraw/zinc/31/90/12/890319012.db2.gz GQVYXJNXBBJVDT-UHFFFAOYSA-N 1 2 420.557 4.179 20 30 HIEDLO C=C(C)[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000478912077 894191514 /nfs/dbraw/zinc/19/15/14/894191514.db2.gz PDXCFOMKTXGABV-QFIPXVFZSA-N 1 2 424.451 4.237 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c1C#N ZINC000505211565 913886074 /nfs/dbraw/zinc/88/60/74/913886074.db2.gz UEHWZWRZPIXBFV-KRWDZBQOSA-N 1 2 411.575 4.366 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H](c3nccs3)C2)c1C#N ZINC000505211565 913886080 /nfs/dbraw/zinc/88/60/80/913886080.db2.gz UEHWZWRZPIXBFV-KRWDZBQOSA-N 1 2 411.575 4.366 20 30 HIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479770476 895071327 /nfs/dbraw/zinc/07/13/27/895071327.db2.gz DYMWEIDTLKVFHB-FGZHOGPDSA-N 1 2 412.484 4.203 20 30 HIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479770476 895071344 /nfs/dbraw/zinc/07/13/44/895071344.db2.gz DYMWEIDTLKVFHB-FGZHOGPDSA-N 1 2 412.484 4.203 20 30 HIEDLO Cc1ccc2c(ncc(C#N)c2N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Br ZINC000480082436 895440035 /nfs/dbraw/zinc/44/00/35/895440035.db2.gz DLEYHGBSZUHACY-MRXNPFEDSA-N 1 2 409.287 4.230 20 30 HIEDLO C=CC[N@H+](Cc1ccc(C#N)cc1Br)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000481124390 896451889 /nfs/dbraw/zinc/45/18/89/896451889.db2.gz YOYBFMCHFPUBJF-HNNXBMFYSA-N 1 2 423.318 4.046 20 30 HIEDLO C=CC[N@@H+](Cc1ccc(C#N)cc1Br)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000481124390 896451896 /nfs/dbraw/zinc/45/18/96/896451896.db2.gz YOYBFMCHFPUBJF-HNNXBMFYSA-N 1 2 423.318 4.046 20 30 HIEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000481600212 896980257 /nfs/dbraw/zinc/98/02/57/896980257.db2.gz RFUHQZCWGRWOPB-UHFFFAOYSA-N 1 2 423.460 4.368 20 30 HIEDLO COc1cc(OC)cc([C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c2nccn2C)c1 ZINC000481914177 897297456 /nfs/dbraw/zinc/29/74/56/897297456.db2.gz RXQCIGZOCYIGTD-RPWUZVMVSA-N 1 2 416.525 4.456 20 30 HIEDLO COc1c(Br)cccc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000481933159 897318044 /nfs/dbraw/zinc/31/80/44/897318044.db2.gz OIHFQRSSKXUEIH-UHFFFAOYSA-N 1 2 401.304 4.373 20 30 HIEDLO Cn1cc(C[N@H+](C)Cc2ccc(F)cc2Br)c(-c2ccc(C#N)cc2)n1 ZINC000483416704 899047177 /nfs/dbraw/zinc/04/71/77/899047177.db2.gz LCZPZMYKAWAJSY-UHFFFAOYSA-N 1 2 413.294 4.492 20 30 HIEDLO Cn1cc(C[N@@H+](C)Cc2ccc(F)cc2Br)c(-c2ccc(C#N)cc2)n1 ZINC000483416704 899047191 /nfs/dbraw/zinc/04/71/91/899047191.db2.gz LCZPZMYKAWAJSY-UHFFFAOYSA-N 1 2 413.294 4.492 20 30 HIEDLO N#Cc1ccc(N2CCC[C@@H](Nc3cccc4c3CN(c3cccc[nH+]3)C4)C2=O)cc1 ZINC000484917743 900293833 /nfs/dbraw/zinc/29/38/33/900293833.db2.gz QIAKLOYCAKNMSI-HSZRJFAPSA-N 1 2 409.493 4.081 20 30 HIEDLO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488530822 902871929 /nfs/dbraw/zinc/87/19/29/902871929.db2.gz SIOXLITVZSYNKM-RUZDIDTESA-N 1 2 421.504 4.069 20 30 HIEDLO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488530822 902871932 /nfs/dbraw/zinc/87/19/32/902871932.db2.gz SIOXLITVZSYNKM-RUZDIDTESA-N 1 2 421.504 4.069 20 30 HIEDLO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)Cc1ccccn1 ZINC000489293062 903314883 /nfs/dbraw/zinc/31/48/83/903314883.db2.gz OWDLHCPAQSVYSS-UHFFFAOYSA-N 1 2 413.525 4.083 20 30 HIEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)Cc1ccccn1 ZINC000489293062 903314890 /nfs/dbraw/zinc/31/48/90/903314890.db2.gz OWDLHCPAQSVYSS-UHFFFAOYSA-N 1 2 413.525 4.083 20 30 HIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490042169 903737388 /nfs/dbraw/zinc/73/73/88/903737388.db2.gz NQJIVNKWCWJFIN-OAHLLOKOSA-N 1 2 414.962 4.365 20 30 HIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490042169 903737397 /nfs/dbraw/zinc/73/73/97/903737397.db2.gz NQJIVNKWCWJFIN-OAHLLOKOSA-N 1 2 414.962 4.365 20 30 HIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000491328484 904539876 /nfs/dbraw/zinc/53/98/76/904539876.db2.gz HYWPLRIUCWTIDZ-LJQANCHMSA-N 1 2 409.511 4.343 20 30 HIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000491328484 904539891 /nfs/dbraw/zinc/53/98/91/904539891.db2.gz HYWPLRIUCWTIDZ-LJQANCHMSA-N 1 2 409.511 4.343 20 30 HIEDLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(c3ncccc3C#N)CC2)o1 ZINC000506248222 914862553 /nfs/dbraw/zinc/86/25/53/914862553.db2.gz OCNIOUARKSVTBY-UHFFFAOYSA-N 1 2 424.508 4.030 20 30 HIEDLO Cc1ccc(-c2ncc(C[NH+]3CCN(c4c(C#N)cnc5ccccc54)CC3)s2)o1 ZINC000512443409 921164339 /nfs/dbraw/zinc/16/43/39/921164339.db2.gz BUQIZYPHDYFHSZ-UHFFFAOYSA-N 1 2 415.522 4.454 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000512521431 921212946 /nfs/dbraw/zinc/21/29/46/921212946.db2.gz FDSMYWHWVSBOJS-SFHVURJKSA-N 1 2 412.534 4.031 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000512521431 921212951 /nfs/dbraw/zinc/21/29/51/921212951.db2.gz FDSMYWHWVSBOJS-SFHVURJKSA-N 1 2 412.534 4.031 20 30 HIEDLO CC[N@H+](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)Cc1ccccc1Cl ZINC000497508690 906998843 /nfs/dbraw/zinc/99/88/43/906998843.db2.gz RPADUCIMDFAYOS-UHFFFAOYSA-N 1 2 411.933 4.104 20 30 HIEDLO CC[N@@H+](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)Cc1ccccc1Cl ZINC000497508690 906998875 /nfs/dbraw/zinc/99/88/75/906998875.db2.gz RPADUCIMDFAYOS-UHFFFAOYSA-N 1 2 411.933 4.104 20 30 HIEDLO CC(C)(C#N)CNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000512798945 921313647 /nfs/dbraw/zinc/31/36/47/921313647.db2.gz XWXJTVPTPUEIOZ-NRFANRHFSA-N 1 2 410.949 4.306 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000499739180 908895046 /nfs/dbraw/zinc/89/50/46/908895046.db2.gz OKQVZASKVPFISC-UXHICEINSA-N 1 2 414.336 4.313 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](CO)c2cccc(Cl)c2F)c1 ZINC000499954637 909057799 /nfs/dbraw/zinc/05/77/99/909057799.db2.gz NETQYLSCPAFAEZ-OXQOHEQNSA-N 1 2 417.912 4.054 20 30 HIEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)s1 ZINC000513073259 921527324 /nfs/dbraw/zinc/52/73/24/921527324.db2.gz DNSYBPHHRCLVHD-QGZVFWFLSA-N 1 2 402.951 4.252 20 30 HIEDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548113 911555047 /nfs/dbraw/zinc/55/50/47/911555047.db2.gz IQQFSJQTEYOUSG-UHFFFAOYSA-N 1 2 400.526 4.195 20 30 HIEDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548113 911555068 /nfs/dbraw/zinc/55/50/68/911555068.db2.gz IQQFSJQTEYOUSG-UHFFFAOYSA-N 1 2 400.526 4.195 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)c1 ZINC000503072845 912039705 /nfs/dbraw/zinc/03/97/05/912039705.db2.gz DLFQTZPPOAAJQO-UHFFFAOYSA-N 1 2 417.534 4.059 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)c1 ZINC000503072845 912039722 /nfs/dbraw/zinc/03/97/22/912039722.db2.gz DLFQTZPPOAAJQO-UHFFFAOYSA-N 1 2 417.534 4.059 20 30 HIEDLO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1Cl ZINC000506447218 915049619 /nfs/dbraw/zinc/04/96/19/915049619.db2.gz XZWBGZMCMZVEBO-UHFFFAOYSA-N 1 2 402.897 4.392 20 30 HIEDLO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1Cl ZINC000506447218 915049634 /nfs/dbraw/zinc/04/96/34/915049634.db2.gz XZWBGZMCMZVEBO-UHFFFAOYSA-N 1 2 402.897 4.392 20 30 HIEDLO COc1cccc([C@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)c1 ZINC000513414304 921783886 /nfs/dbraw/zinc/78/38/86/921783886.db2.gz CXPXNYNSSWNOOM-HSZRJFAPSA-N 1 2 402.498 4.046 20 30 HIEDLO COc1cccc([C@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)c1 ZINC000513414304 921783893 /nfs/dbraw/zinc/78/38/93/921783893.db2.gz CXPXNYNSSWNOOM-HSZRJFAPSA-N 1 2 402.498 4.046 20 30 HIEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507845736 916659265 /nfs/dbraw/zinc/65/92/65/916659265.db2.gz CQPCKIXILZAQOR-AWEZNQCLSA-N 1 2 424.501 4.177 20 30 HIEDLO C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508460916 917245536 /nfs/dbraw/zinc/24/55/36/917245536.db2.gz GSTVNCBZKXPDNO-UHFFFAOYSA-N 1 2 415.328 4.160 20 30 HIEDLO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000508888901 917644345 /nfs/dbraw/zinc/64/43/45/917644345.db2.gz QCOHXOCKMXUQIO-UHFFFAOYSA-N 1 2 424.961 4.040 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000509056679 917806600 /nfs/dbraw/zinc/80/66/00/917806600.db2.gz OYLRKDKDYVBYDA-SFHVURJKSA-N 1 2 417.513 4.001 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000509056679 917806603 /nfs/dbraw/zinc/80/66/03/917806603.db2.gz OYLRKDKDYVBYDA-SFHVURJKSA-N 1 2 417.513 4.001 20 30 HIEDLO CCCOc1ccc(Cl)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000510218152 918763812 /nfs/dbraw/zinc/76/38/12/918763812.db2.gz XGPSWHZJJVFUOG-UHFFFAOYSA-N 1 2 412.921 4.350 20 30 HIEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000510790092 919257584 /nfs/dbraw/zinc/25/75/84/919257584.db2.gz FGWKQXMDTINRAL-ZDUSSCGKSA-N 1 2 423.460 4.129 20 30 HIEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000510790092 919257612 /nfs/dbraw/zinc/25/76/12/919257612.db2.gz FGWKQXMDTINRAL-ZDUSSCGKSA-N 1 2 423.460 4.129 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000511076501 919678034 /nfs/dbraw/zinc/67/80/34/919678034.db2.gz XTEPZOFUWNYQAT-GOSISDBHSA-N 1 2 422.472 4.230 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000511076501 919678049 /nfs/dbraw/zinc/67/80/49/919678049.db2.gz XTEPZOFUWNYQAT-GOSISDBHSA-N 1 2 422.472 4.230 20 30 HIEDLO Cc1oc(NC(=O)C[NH+]2CCC(C)(c3nc4ccccc4s3)CC2)c(C#N)c1C ZINC000511080261 919681616 /nfs/dbraw/zinc/68/16/16/919681616.db2.gz IINGLYKBZMFTSM-UHFFFAOYSA-N 1 2 408.527 4.370 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000511250249 919851654 /nfs/dbraw/zinc/85/16/54/919851654.db2.gz YEEIURBAIKQPBE-UHFFFAOYSA-N 1 2 408.505 4.479 20 30 HIEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](CCO)c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000512163558 920901979 /nfs/dbraw/zinc/90/19/79/920901979.db2.gz MAWNICZCBWFYME-KRWDZBQOSA-N 1 2 403.269 4.128 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1ccc(OC)cc1 ZINC000515781739 923347188 /nfs/dbraw/zinc/34/71/88/923347188.db2.gz VSVXDTGGGBRAGB-UHFFFAOYSA-N 1 2 424.932 4.220 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1ccc(OC)cc1 ZINC000515781739 923347202 /nfs/dbraw/zinc/34/72/02/923347202.db2.gz VSVXDTGGGBRAGB-UHFFFAOYSA-N 1 2 424.932 4.220 20 30 HIEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1Cl ZINC000515816350 923369288 /nfs/dbraw/zinc/36/92/88/923369288.db2.gz VXKCOBIXYMRBQQ-OPAMFIHVSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1Cl ZINC000515816350 923369304 /nfs/dbraw/zinc/36/93/04/923369304.db2.gz VXKCOBIXYMRBQQ-OPAMFIHVSA-N 1 2 410.949 4.288 20 30 HIEDLO C=CC[N@H+](Cc1csc(-c2ccc(C)o2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518751187 927476399 /nfs/dbraw/zinc/47/63/99/927476399.db2.gz JGSFAKFKVQWNIY-INIZCTEOSA-N 1 2 406.515 4.436 20 30 HIEDLO C=CC[N@@H+](Cc1csc(-c2ccc(C)o2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518751187 927476402 /nfs/dbraw/zinc/47/64/02/927476402.db2.gz JGSFAKFKVQWNIY-INIZCTEOSA-N 1 2 406.515 4.436 20 30 HIEDLO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1ccccc1Br ZINC000519046680 927722013 /nfs/dbraw/zinc/72/20/13/927722013.db2.gz NGXMIVOAZIEFJG-MRXNPFEDSA-N 1 2 414.347 4.410 20 30 HIEDLO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1ccccc1Br ZINC000519046680 927722026 /nfs/dbraw/zinc/72/20/26/927722026.db2.gz NGXMIVOAZIEFJG-MRXNPFEDSA-N 1 2 414.347 4.410 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000519907885 928141715 /nfs/dbraw/zinc/14/17/15/928141715.db2.gz NJGVZNSYHMIEFM-UHFFFAOYSA-N 1 2 414.525 4.001 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000519907885 928141725 /nfs/dbraw/zinc/14/17/25/928141725.db2.gz NJGVZNSYHMIEFM-UHFFFAOYSA-N 1 2 414.525 4.001 20 30 HIEDLO C=CCc1cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc(OC)c1OC ZINC000524553287 929682998 /nfs/dbraw/zinc/68/29/98/929682998.db2.gz IWCQOZIIAKVLMB-KRWDZBQOSA-N 1 2 410.514 4.078 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(COC4CCCC4)cc3)CC2)cc1 ZINC000524799732 929834305 /nfs/dbraw/zinc/83/43/05/929834305.db2.gz PEWJHMREYBGJBK-UHFFFAOYSA-N 1 2 418.541 4.367 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530462365 930719371 /nfs/dbraw/zinc/71/93/71/930719371.db2.gz WLTAUSMEHJXKKE-QUCCMNQESA-N 1 2 402.420 4.127 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530462365 930719375 /nfs/dbraw/zinc/71/93/75/930719375.db2.gz WLTAUSMEHJXKKE-QUCCMNQESA-N 1 2 402.420 4.127 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000530960604 930868736 /nfs/dbraw/zinc/86/87/36/930868736.db2.gz KJCIZNNBUQFKTO-UHFFFAOYSA-N 1 2 421.476 4.417 20 30 HIEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000531801557 931203087 /nfs/dbraw/zinc/20/30/87/931203087.db2.gz RYZRTDSMZBZGRI-INIZCTEOSA-N 1 2 421.451 4.129 20 30 HIEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000531801557 931203094 /nfs/dbraw/zinc/20/30/94/931203094.db2.gz RYZRTDSMZBZGRI-INIZCTEOSA-N 1 2 421.451 4.129 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000532523773 931474457 /nfs/dbraw/zinc/47/44/57/931474457.db2.gz LCEZIVMVVZDHTA-KRWDZBQOSA-N 1 2 401.576 4.300 20 30 HIEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532556806 931522787 /nfs/dbraw/zinc/52/27/87/931522787.db2.gz BRFKGMOZRPGBEQ-CQSZACIVSA-N 1 2 424.501 4.177 20 30 HIEDLO N#CCCN(C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1)c1cccc(Cl)c1 ZINC000532625575 931558800 /nfs/dbraw/zinc/55/88/00/931558800.db2.gz ICMZVTSZJQMCPM-QHCPKHFHSA-N 1 2 404.901 4.361 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)c1C#N ZINC000533484323 931881257 /nfs/dbraw/zinc/88/12/57/931881257.db2.gz ISLNPAIRFNYNEP-QFIPXVFZSA-N 1 2 417.488 4.276 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)c1C#N ZINC000533484323 931881260 /nfs/dbraw/zinc/88/12/60/931881260.db2.gz ISLNPAIRFNYNEP-QFIPXVFZSA-N 1 2 417.488 4.276 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534421786 932440299 /nfs/dbraw/zinc/44/02/99/932440299.db2.gz ZJRDBDCSYXQUSX-VQTJNVASSA-N 1 2 415.896 4.070 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534421786 932440304 /nfs/dbraw/zinc/44/03/04/932440304.db2.gz ZJRDBDCSYXQUSX-VQTJNVASSA-N 1 2 415.896 4.070 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)c1C#N ZINC000534940082 932848092 /nfs/dbraw/zinc/84/80/92/932848092.db2.gz JDSCWYHCUCVWRN-QFIPXVFZSA-N 1 2 417.488 4.276 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)c1C#N ZINC000534940082 932848096 /nfs/dbraw/zinc/84/80/96/932848096.db2.gz JDSCWYHCUCVWRN-QFIPXVFZSA-N 1 2 417.488 4.276 20 30 HIEDLO COC(=O)c1cccc(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)c1C#N ZINC000535136669 932956337 /nfs/dbraw/zinc/95/63/37/932956337.db2.gz DFNVKTJCPGQCPV-HSZRJFAPSA-N 1 2 404.441 4.372 20 30 HIEDLO C[C@H](c1nnc(SCCCC2(C#N)CCOCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000537310898 933711188 /nfs/dbraw/zinc/71/11/88/933711188.db2.gz KWJYDLROWWUEPL-MRXNPFEDSA-N 1 2 417.554 4.222 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000537901217 938405341 /nfs/dbraw/zinc/40/53/41/938405341.db2.gz ZOBYASUSHKQCAP-SFHVURJKSA-N 1 2 419.504 4.191 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000537901217 938405345 /nfs/dbraw/zinc/40/53/45/938405345.db2.gz ZOBYASUSHKQCAP-SFHVURJKSA-N 1 2 419.504 4.191 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538022644 938467091 /nfs/dbraw/zinc/46/70/91/938467091.db2.gz YWSUMSGXNXRWJI-RTWAWAEBSA-N 1 2 411.908 4.334 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538022644 938467096 /nfs/dbraw/zinc/46/70/96/938467096.db2.gz YWSUMSGXNXRWJI-RTWAWAEBSA-N 1 2 411.908 4.334 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538024210 938468740 /nfs/dbraw/zinc/46/87/40/938468740.db2.gz PLKJBPOUKDEEPS-JBYOLUDKSA-N 1 2 415.896 4.070 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538024210 938468745 /nfs/dbraw/zinc/46/87/45/938468745.db2.gz PLKJBPOUKDEEPS-JBYOLUDKSA-N 1 2 415.896 4.070 20 30 HIEDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000538243933 938571804 /nfs/dbraw/zinc/57/18/04/938571804.db2.gz XWRRZTVOXIXFPN-HUUCEWRRSA-N 1 2 401.507 4.375 20 30 HIEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000538539022 938644342 /nfs/dbraw/zinc/64/43/42/938644342.db2.gz FHPLNSCFMXNTMB-CYFREDJKSA-N 1 2 416.569 4.318 20 30 HIEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000538539022 938644344 /nfs/dbraw/zinc/64/43/44/938644344.db2.gz FHPLNSCFMXNTMB-CYFREDJKSA-N 1 2 416.569 4.318 20 30 HIEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000538539030 938644379 /nfs/dbraw/zinc/64/43/79/938644379.db2.gz FHPLNSCFMXNTMB-NTKDMRAZSA-N 1 2 416.569 4.318 20 30 HIEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000538539030 938644380 /nfs/dbraw/zinc/64/43/80/938644380.db2.gz FHPLNSCFMXNTMB-NTKDMRAZSA-N 1 2 416.569 4.318 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000539003188 938766097 /nfs/dbraw/zinc/76/60/97/938766097.db2.gz PBZVEAUUDKWFOB-GOSISDBHSA-N 1 2 417.513 4.001 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000539003188 938766102 /nfs/dbraw/zinc/76/61/02/938766102.db2.gz PBZVEAUUDKWFOB-GOSISDBHSA-N 1 2 417.513 4.001 20 30 HIEDLO N#CC1(c2ccc(C(=O)Nc3nc4ccccc4n3CCCn3cc[nH+]c3)cc2)CC1 ZINC000539617538 938888627 /nfs/dbraw/zinc/88/86/27/938888627.db2.gz IHRHHYQCOBZJRH-UHFFFAOYSA-N 1 2 410.481 4.131 20 30 HIEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000539700511 938906278 /nfs/dbraw/zinc/90/62/78/938906278.db2.gz DFRJCHFUIZGIKS-ICSRJNTNSA-N 1 2 400.885 4.008 20 30 HIEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000539700511 938906279 /nfs/dbraw/zinc/90/62/79/938906279.db2.gz DFRJCHFUIZGIKS-ICSRJNTNSA-N 1 2 400.885 4.008 20 30 HIEDLO C[C@](C#N)(NC(=O)C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl)C1CC1 ZINC000541293827 939489724 /nfs/dbraw/zinc/48/97/24/939489724.db2.gz AXVYSZDBWCTERR-NHCUHLMSSA-N 1 2 402.325 4.481 20 30 HIEDLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542038043 939695407 /nfs/dbraw/zinc/69/54/07/939695407.db2.gz TURNOHRWKYWDRQ-QUCCMNQESA-N 1 2 413.525 4.397 20 30 HIEDLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542038043 939695411 /nfs/dbraw/zinc/69/54/11/939695411.db2.gz TURNOHRWKYWDRQ-QUCCMNQESA-N 1 2 413.525 4.397 20 30 HIEDLO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1nccs1 ZINC000542522227 939836945 /nfs/dbraw/zinc/83/69/45/939836945.db2.gz RMNVMVZUXREWMH-LJQANCHMSA-N 1 2 407.543 4.161 20 30 HIEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)s1 ZINC000542617909 939849278 /nfs/dbraw/zinc/84/92/78/939849278.db2.gz HBOWOLYEIFJCCP-CQSZACIVSA-N 1 2 411.506 4.159 20 30 HIEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cccc(C#N)c2F)c2ccc(F)cc2)c1 ZINC000543151812 939976064 /nfs/dbraw/zinc/97/60/64/939976064.db2.gz MEZHWZPQWKOYGQ-JOCHJYFZSA-N 1 2 412.461 4.119 20 30 HIEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)n1 ZINC000543508555 940089490 /nfs/dbraw/zinc/08/94/90/940089490.db2.gz NRTIWHLFXDTUCU-MRXNPFEDSA-N 1 2 407.543 4.079 20 30 HIEDLO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543912335 940240468 /nfs/dbraw/zinc/24/04/68/940240468.db2.gz ZCWIBPDVJRNVAN-QZTJIDSGSA-N 1 2 415.962 4.006 20 30 HIEDLO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543912335 940240485 /nfs/dbraw/zinc/24/04/85/940240485.db2.gz ZCWIBPDVJRNVAN-QZTJIDSGSA-N 1 2 415.962 4.006 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@H]2/C=C/c2cccs2)cc1 ZINC000543987828 940284365 /nfs/dbraw/zinc/28/43/65/940284365.db2.gz JWWHPNVBVSAJPK-YXBWYFRISA-N 1 2 400.569 4.351 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCCC[C@H]2/C=C/c2cccs2)cc1 ZINC000543987828 940284372 /nfs/dbraw/zinc/28/43/72/940284372.db2.gz JWWHPNVBVSAJPK-YXBWYFRISA-N 1 2 400.569 4.351 20 30 HIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2)cc1 ZINC000544517893 940469386 /nfs/dbraw/zinc/46/93/86/940469386.db2.gz CSDZLOVUOYLXJU-LDMCVSKHSA-N 1 2 423.561 4.269 20 30 HIEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000564006381 945346518 /nfs/dbraw/zinc/34/65/18/945346518.db2.gz KTMWMINTBBUNDM-HNNXBMFYSA-N 1 2 402.420 4.488 20 30 HIEDLO C=C[C@@H](CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)c1ccccc1 ZINC000546770786 940879904 /nfs/dbraw/zinc/87/99/04/940879904.db2.gz WCDBRUZUVRGSCN-INIZCTEOSA-N 1 2 412.331 4.424 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000548797988 941124237 /nfs/dbraw/zinc/12/42/37/941124237.db2.gz FDLDSGCUKWSZFF-UHFFFAOYSA-N 1 2 410.521 4.172 20 30 HIEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc2ccccc2c1 ZINC000548798514 941124439 /nfs/dbraw/zinc/12/44/39/941124439.db2.gz APPZCRHERAIBJQ-UXHICEINSA-N 1 2 412.537 4.358 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC(C)=C(c3ccco3)C2)c1C#N ZINC000549158804 941166957 /nfs/dbraw/zinc/16/69/57/941166957.db2.gz CTEJHXZEXHWDJD-UHFFFAOYSA-N 1 2 418.497 4.329 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC(C)=C(c3ccco3)C2)c1C#N ZINC000549158804 941166958 /nfs/dbraw/zinc/16/69/58/941166958.db2.gz CTEJHXZEXHWDJD-UHFFFAOYSA-N 1 2 418.497 4.329 20 30 HIEDLO CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@](C)(C(F)(F)F)O1 ZINC000552111160 941586715 /nfs/dbraw/zinc/58/67/15/941586715.db2.gz UALSJJWGNDGHQS-FQEVSTJZSA-N 1 2 406.452 4.396 20 30 HIEDLO CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@](C)(C(F)(F)F)O1 ZINC000552111160 941586716 /nfs/dbraw/zinc/58/67/16/941586716.db2.gz UALSJJWGNDGHQS-FQEVSTJZSA-N 1 2 406.452 4.396 20 30 HIEDLO N#Cc1ccncc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000553303326 941863806 /nfs/dbraw/zinc/86/38/06/941863806.db2.gz IOACSYKXQPFAEP-UHFFFAOYSA-N 1 2 422.941 4.293 20 30 HIEDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000554244675 942076469 /nfs/dbraw/zinc/07/64/69/942076469.db2.gz AJVWZGBCRIKQPM-UHFFFAOYSA-N 1 2 407.477 4.048 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554847850 942284730 /nfs/dbraw/zinc/28/47/30/942284730.db2.gz GFGAEFNFTSHFQN-LRDDRELGSA-N 1 2 411.493 4.490 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554847850 942284753 /nfs/dbraw/zinc/28/47/53/942284753.db2.gz GFGAEFNFTSHFQN-LRDDRELGSA-N 1 2 411.493 4.490 20 30 HIEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000556505426 942887389 /nfs/dbraw/zinc/88/73/89/942887389.db2.gz HNJKMOGPRORILY-MRXNPFEDSA-N 1 2 409.374 4.210 20 30 HIEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000556505426 942887393 /nfs/dbraw/zinc/88/73/93/942887393.db2.gz HNJKMOGPRORILY-MRXNPFEDSA-N 1 2 409.374 4.210 20 30 HIEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556711013 942929776 /nfs/dbraw/zinc/92/97/76/942929776.db2.gz CFEFJHKAFVUQLF-QUCCMNQESA-N 1 2 400.885 4.008 20 30 HIEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556711013 942929782 /nfs/dbraw/zinc/92/97/82/942929782.db2.gz CFEFJHKAFVUQLF-QUCCMNQESA-N 1 2 400.885 4.008 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000557715446 943267620 /nfs/dbraw/zinc/26/76/20/943267620.db2.gz GRBLUSJMPYKHGB-UHFFFAOYSA-N 1 2 409.449 4.029 20 30 HIEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000558080459 943375012 /nfs/dbraw/zinc/37/50/12/943375012.db2.gz NYPUPGBZZOWZNI-INIZCTEOSA-N 1 2 415.921 4.124 20 30 HIEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000558080459 943375024 /nfs/dbraw/zinc/37/50/24/943375024.db2.gz NYPUPGBZZOWZNI-INIZCTEOSA-N 1 2 415.921 4.124 20 30 HIEDLO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000558996612 943795625 /nfs/dbraw/zinc/79/56/25/943795625.db2.gz MBDCLZFPGJUCIT-KRWDZBQOSA-N 1 2 424.499 4.078 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000564757825 945750873 /nfs/dbraw/zinc/75/08/73/945750873.db2.gz NIYLENZMKPOJEC-UHFFFAOYSA-N 1 2 401.482 4.399 20 30 HIEDLO N#Cc1cc(Oc2ccc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2)ccn1 ZINC000565276111 945801663 /nfs/dbraw/zinc/80/16/63/945801663.db2.gz MWXHZGRROIJPMH-UHFFFAOYSA-N 1 2 409.449 4.172 20 30 HIEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778774 846619354 /nfs/dbraw/zinc/61/93/54/846619354.db2.gz XQJCNTSEBQXRFH-FQEVSTJZSA-N 1 2 404.558 4.135 20 30 HIEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781869 846620904 /nfs/dbraw/zinc/62/09/04/846620904.db2.gz GUCIRHWWVNYDQV-OAHLLOKOSA-N 1 2 417.340 4.010 20 30 HIEDLO N#Cc1ccnc(N2CC[NH+]([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)CC2)c1 ZINC000025941045 847060194 /nfs/dbraw/zinc/06/01/94/847060194.db2.gz MBDVQGLVWLVVJH-VWLOTQADSA-N 1 2 421.504 4.181 20 30 HIEDLO N#Cc1c(NC(=O)C[NH+]2CCC([C@H](O)c3ccccc3)CC2)sc2c1CCCCC2 ZINC000026117108 847089362 /nfs/dbraw/zinc/08/93/62/847089362.db2.gz CJCRLOLPUJLZGD-HSZRJFAPSA-N 1 2 423.582 4.273 20 30 HIEDLO C=CC[N@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)Cc1cccs1 ZINC000027364062 847289864 /nfs/dbraw/zinc/28/98/64/847289864.db2.gz PQSFLEPVBFUECC-UHFFFAOYSA-N 1 2 412.555 4.093 20 30 HIEDLO C=CC[N@@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)Cc1cccs1 ZINC000027364062 847289873 /nfs/dbraw/zinc/28/98/73/847289873.db2.gz PQSFLEPVBFUECC-UHFFFAOYSA-N 1 2 412.555 4.093 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)Cc1ccccc1 ZINC000027777309 847351165 /nfs/dbraw/zinc/35/11/65/847351165.db2.gz XIHBPXJKKFVEPZ-UHFFFAOYSA-N 1 2 405.420 4.291 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)Cc1ccccc1 ZINC000027777309 847351181 /nfs/dbraw/zinc/35/11/81/847351181.db2.gz XIHBPXJKKFVEPZ-UHFFFAOYSA-N 1 2 405.420 4.291 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCCC(=O)c3ccccc3)CC2)cc1 ZINC000048346218 849209763 /nfs/dbraw/zinc/20/97/63/849209763.db2.gz WSTWDNMKYAVQLS-UHFFFAOYSA-N 1 2 403.526 4.036 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCCC(=O)c3ccccc3)CC2)cc1 ZINC000048346218 849209773 /nfs/dbraw/zinc/20/97/73/849209773.db2.gz WSTWDNMKYAVQLS-UHFFFAOYSA-N 1 2 403.526 4.036 20 30 HIEDLO N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000049935007 849334111 /nfs/dbraw/zinc/33/41/11/849334111.db2.gz RHMDAYBKFLDFGW-UHFFFAOYSA-N 1 2 400.507 4.067 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c1C#N ZINC000052803486 849629157 /nfs/dbraw/zinc/62/91/57/849629157.db2.gz FYNFNTMKDOQJNQ-HXUWFJFHSA-N 1 2 408.527 4.455 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)c1C#N ZINC000052803486 849629161 /nfs/dbraw/zinc/62/91/61/849629161.db2.gz FYNFNTMKDOQJNQ-HXUWFJFHSA-N 1 2 408.527 4.455 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](CC(F)(F)F)c3ccccc3)CC2)cc1 ZINC000057129549 850556766 /nfs/dbraw/zinc/55/67/66/850556766.db2.gz BQLMARSEYCAGLX-HXUWFJFHSA-N 1 2 416.447 4.079 20 30 HIEDLO N#Cc1ccccc1OCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000060422839 851094139 /nfs/dbraw/zinc/09/41/39/851094139.db2.gz YBTMEWNHBZXSRK-UHFFFAOYSA-N 1 2 419.554 4.296 20 30 HIEDLO C=CC[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1cccc(C#N)c1 ZINC000063300229 851654641 /nfs/dbraw/zinc/65/46/41/851654641.db2.gz QKOGHMAZJFXMRE-UHFFFAOYSA-N 1 2 410.521 4.343 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1cccc(C#N)c1 ZINC000063300229 851654645 /nfs/dbraw/zinc/65/46/45/851654645.db2.gz QKOGHMAZJFXMRE-UHFFFAOYSA-N 1 2 410.521 4.343 20 30 HIEDLO N#Cc1ccc(NC(=O)C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1Cl ZINC000063512212 851706509 /nfs/dbraw/zinc/70/65/09/851706509.db2.gz FTXYYXTWHGZKMT-JOCHJYFZSA-N 1 2 418.884 4.120 20 30 HIEDLO COc1ccc(C[NH+](CC(=O)Nc2sccc2C#N)Cc2ccc(OC)cc2)cc1 ZINC000064809514 851990675 /nfs/dbraw/zinc/99/06/75/851990675.db2.gz LTQFUULBJGTBOW-UHFFFAOYSA-N 1 2 421.522 4.278 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)cc1 ZINC000106322343 852770055 /nfs/dbraw/zinc/77/00/55/852770055.db2.gz NTISETOCFRTYBX-UHFFFAOYSA-N 1 2 403.511 4.031 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1C#N ZINC000107817865 852800523 /nfs/dbraw/zinc/80/05/23/852800523.db2.gz CQKCNNCTRAUUMN-OAQYLSRUSA-N 1 2 405.477 4.209 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1C#N ZINC000107817865 852800527 /nfs/dbraw/zinc/80/05/27/852800527.db2.gz CQKCNNCTRAUUMN-OAQYLSRUSA-N 1 2 405.477 4.209 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1C#N ZINC000107817998 852800684 /nfs/dbraw/zinc/80/06/84/852800684.db2.gz DPKVRWHBNDVZAL-OAQYLSRUSA-N 1 2 405.477 4.209 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1C#N ZINC000107817998 852800693 /nfs/dbraw/zinc/80/06/93/852800693.db2.gz DPKVRWHBNDVZAL-OAQYLSRUSA-N 1 2 405.477 4.209 20 30 HIEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc(N)nc(Nc2ccccc2CC)n1 ZINC000108140079 852824711 /nfs/dbraw/zinc/82/47/11/852824711.db2.gz AFVQVUJIWHBNNK-UHFFFAOYSA-N 1 2 401.518 4.044 20 30 HIEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc(N)nc(Nc2ccccc2CC)n1 ZINC000108140079 852824715 /nfs/dbraw/zinc/82/47/15/852824715.db2.gz AFVQVUJIWHBNNK-UHFFFAOYSA-N 1 2 401.518 4.044 20 30 HIEDLO NC(=[NH+]OCC(=O)Nc1ccccc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000109438744 852971160 /nfs/dbraw/zinc/97/11/60/852971160.db2.gz GKNKBPPWBKCKHL-UHFFFAOYSA-N 1 2 409.873 4.195 20 30 HIEDLO N#CC(CC[NH+]1CCN(C(=O)c2cccs2)CC1)(c1ccccc1)c1ccccc1 ZINC000216716812 853857785 /nfs/dbraw/zinc/85/77/85/853857785.db2.gz OZIBKEGRQZRQIA-UHFFFAOYSA-N 1 2 415.562 4.406 20 30 HIEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255957562 854229770 /nfs/dbraw/zinc/22/97/70/854229770.db2.gz WIXKUJGSEHXICY-IEBWSBKVSA-N 1 2 424.715 4.047 20 30 HIEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255957562 854229776 /nfs/dbraw/zinc/22/97/76/854229776.db2.gz WIXKUJGSEHXICY-IEBWSBKVSA-N 1 2 424.715 4.047 20 30 HIEDLO N#Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000302121312 854533287 /nfs/dbraw/zinc/53/32/87/854533287.db2.gz DOKPNUPEDNFRMC-UHFFFAOYSA-N 1 2 424.464 4.017 20 30 HIEDLO CC(C)c1cccc(NC(=O)CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c1 ZINC000303098327 854758892 /nfs/dbraw/zinc/75/88/92/854758892.db2.gz BFTWJUYLVLTHLX-UHFFFAOYSA-N 1 2 418.497 4.060 20 30 HIEDLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000303693044 855137381 /nfs/dbraw/zinc/13/73/81/855137381.db2.gz QAQYBRWRMNDUQM-MNOVXSKESA-N 1 2 400.338 4.208 20 30 HIEDLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000303693044 855137384 /nfs/dbraw/zinc/13/73/84/855137384.db2.gz QAQYBRWRMNDUQM-MNOVXSKESA-N 1 2 400.338 4.208 20 30 HIEDLO C=CCOc1c(Br)cc(C[NH+]2CCC(O)(C(F)F)CC2)cc1OCC ZINC000428456437 857210069 /nfs/dbraw/zinc/21/00/69/857210069.db2.gz HXMORIDPPFXPNK-UHFFFAOYSA-N 1 2 420.294 4.005 20 30 HIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000429089910 857504406 /nfs/dbraw/zinc/50/44/06/857504406.db2.gz BZIGQKKMCJRDDD-GOSISDBHSA-N 1 2 419.554 4.044 20 30 HIEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000429169258 857539900 /nfs/dbraw/zinc/53/99/00/857539900.db2.gz ABDMWTKKFXXHCK-PKOBYXMFSA-N 1 2 405.889 4.328 20 30 HIEDLO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2Cl)cc1 ZINC000429350151 857615383 /nfs/dbraw/zinc/61/53/83/857615383.db2.gz BFOGRJJRDKMJNI-INIZCTEOSA-N 1 2 407.861 4.337 20 30 HIEDLO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000429810036 857892803 /nfs/dbraw/zinc/89/28/03/857892803.db2.gz OMJYNFNNLYETHI-UHFFFAOYSA-N 1 2 404.539 4.081 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2F)c1 ZINC000435134737 860657130 /nfs/dbraw/zinc/65/71/30/860657130.db2.gz YXZWHIJZVWEMNX-UHFFFAOYSA-N 1 2 419.460 4.411 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2F)c1 ZINC000435134737 860657138 /nfs/dbraw/zinc/65/71/38/860657138.db2.gz YXZWHIJZVWEMNX-UHFFFAOYSA-N 1 2 419.460 4.411 20 30 HIEDLO COc1ccc(C#N)cc1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000435139704 860660965 /nfs/dbraw/zinc/66/09/65/860660965.db2.gz FBEDEUWDLKZOAB-UHFFFAOYSA-N 1 2 419.554 4.095 20 30 HIEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000439301940 864729624 /nfs/dbraw/zinc/72/96/24/864729624.db2.gz AZMWISNXDPPNEY-XQBPLPMBSA-N 1 2 406.530 4.462 20 30 HIEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000439301940 864729629 /nfs/dbraw/zinc/72/96/29/864729629.db2.gz AZMWISNXDPPNEY-XQBPLPMBSA-N 1 2 406.530 4.462 20 30 HIEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)c2)c1 ZINC000467992406 881838250 /nfs/dbraw/zinc/83/82/50/881838250.db2.gz DEZCRWUHXRLREC-QHCPKHFHSA-N 1 2 410.477 4.024 20 30 HIEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)c2)c1 ZINC000467992406 881838254 /nfs/dbraw/zinc/83/82/54/881838254.db2.gz DEZCRWUHXRLREC-QHCPKHFHSA-N 1 2 410.477 4.024 20 30 HIEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](c4ccsc4)C3)sc2C1 ZINC000468111574 881931638 /nfs/dbraw/zinc/93/16/38/881931638.db2.gz VSTCNDUAUYVXBK-KDOFPFPSSA-N 1 2 415.584 4.208 20 30 HIEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@H](c4ccsc4)C3)sc2C1 ZINC000468111574 881931674 /nfs/dbraw/zinc/93/16/74/881931674.db2.gz VSTCNDUAUYVXBK-KDOFPFPSSA-N 1 2 415.584 4.208 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)c1C#N ZINC000440899462 865994846 /nfs/dbraw/zinc/99/48/46/865994846.db2.gz SUYGLQOEKBGLTP-QGZVFWFLSA-N 1 2 406.486 4.375 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)c1C#N ZINC000440899462 865994865 /nfs/dbraw/zinc/99/48/65/865994865.db2.gz SUYGLQOEKBGLTP-QGZVFWFLSA-N 1 2 406.486 4.375 20 30 HIEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](c4ccsc4)C3)sc2C1 ZINC000468111573 881930946 /nfs/dbraw/zinc/93/09/46/881930946.db2.gz VSTCNDUAUYVXBK-KBXCAEBGSA-N 1 2 415.584 4.208 20 30 HIEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H](c4ccsc4)C3)sc2C1 ZINC000468111573 881930960 /nfs/dbraw/zinc/93/09/60/881930960.db2.gz VSTCNDUAUYVXBK-KBXCAEBGSA-N 1 2 415.584 4.208 20 30 HIEDLO C=CCc1ccc(OCC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(OC)c1 ZINC000441500041 866581732 /nfs/dbraw/zinc/58/17/32/866581732.db2.gz PHFXZZQTNUWQFT-JOCHJYFZSA-N 1 2 419.525 4.174 20 30 HIEDLO N#Cc1cc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1OC(F)(F)F ZINC000442182552 867205034 /nfs/dbraw/zinc/20/50/34/867205034.db2.gz QGERVAGXCVOMMF-UHFFFAOYSA-N 1 2 415.375 4.023 20 30 HIEDLO N#Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1C(F)(F)F ZINC000443881187 868416681 /nfs/dbraw/zinc/41/66/81/868416681.db2.gz HDFJZBWHLVQKRO-SFHVURJKSA-N 1 2 405.445 4.306 20 30 HIEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)oc1-c1ccc(Cl)cc1 ZINC000468270550 882191388 /nfs/dbraw/zinc/19/13/88/882191388.db2.gz NUOPEYODSJJIBU-UHFFFAOYSA-N 1 2 406.917 4.493 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2)c1C#N ZINC000444692692 868961775 /nfs/dbraw/zinc/96/17/75/868961775.db2.gz MOGQVHFHJLUUSB-UHFFFAOYSA-N 1 2 400.473 4.440 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2cc(F)cc(F)c2)c1C#N ZINC000444692692 868961781 /nfs/dbraw/zinc/96/17/81/868961781.db2.gz MOGQVHFHJLUUSB-UHFFFAOYSA-N 1 2 400.473 4.440 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000444898742 869085881 /nfs/dbraw/zinc/08/58/81/869085881.db2.gz PIWRINXUIOIMGE-GOSISDBHSA-N 1 2 401.470 4.496 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3csc4ccccc34)CC2)cc1 ZINC000445646857 869717504 /nfs/dbraw/zinc/71/75/04/869717504.db2.gz IQBDADGIGJRGIM-UHFFFAOYSA-N 1 2 403.551 4.440 20 30 HIEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cn3ccccc3c2C#N)c2ccccc2)c1 ZINC000446643051 870554495 /nfs/dbraw/zinc/55/44/95/870554495.db2.gz RYZGBYFNVGBLEC-XMMPIXPASA-N 1 2 415.518 4.094 20 30 HIEDLO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447143529 871044112 /nfs/dbraw/zinc/04/41/12/871044112.db2.gz CADUIIUXXDHHGG-UHFFFAOYSA-N 1 2 421.545 4.003 20 30 HIEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000447344528 871246095 /nfs/dbraw/zinc/24/60/95/871246095.db2.gz ZWRKWVJOGDLYIR-WAIKUNEKSA-N 1 2 413.949 4.344 20 30 HIEDLO C[C@H](c1nccs1)N1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000468538423 882571986 /nfs/dbraw/zinc/57/19/86/882571986.db2.gz WOBMFVHIQWFYHM-LJQANCHMSA-N 1 2 418.566 4.473 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000460813474 873695009 /nfs/dbraw/zinc/69/50/09/873695009.db2.gz CXIYOZYLUCRUFO-RTWAWAEBSA-N 1 2 414.336 4.313 20 30 HIEDLO Cc1nc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c(Cl)cc1C#N ZINC000461720331 874869558 /nfs/dbraw/zinc/86/95/58/874869558.db2.gz UEXHVNUIBLGXNP-GFCCVEGCSA-N 1 2 416.913 4.409 20 30 HIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000463144345 876196571 /nfs/dbraw/zinc/19/65/71/876196571.db2.gz AMDBJBPUXMUYPM-INIZCTEOSA-N 1 2 421.488 4.207 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)c1C#N ZINC000464767836 878010057 /nfs/dbraw/zinc/01/00/57/878010057.db2.gz AZQZLBLOKRQBJA-UHFFFAOYSA-N 1 2 422.426 4.318 20 30 HIEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 ZINC000464830919 878087699 /nfs/dbraw/zinc/08/76/99/878087699.db2.gz BOKQHXHGAZEULI-UZLBHIALSA-N 1 2 403.486 4.057 20 30 HIEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 ZINC000464830919 878087717 /nfs/dbraw/zinc/08/77/17/878087717.db2.gz BOKQHXHGAZEULI-UZLBHIALSA-N 1 2 403.486 4.057 20 30 HIEDLO C[N@H+](Cc1cc(C#N)ccc1F)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467272050 881012818 /nfs/dbraw/zinc/01/28/18/881012818.db2.gz WZPGCMCGHISYMZ-UHFFFAOYSA-N 1 2 421.310 4.242 20 30 HIEDLO C[N@@H+](Cc1cc(C#N)ccc1F)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467272050 881012845 /nfs/dbraw/zinc/01/28/45/881012845.db2.gz WZPGCMCGHISYMZ-UHFFFAOYSA-N 1 2 421.310 4.242 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(OC3CCCC3)CC2)c1C#N ZINC000503581785 912666007 /nfs/dbraw/zinc/66/60/07/912666007.db2.gz RIRLPFUXTLGPNI-UHFFFAOYSA-N 1 2 420.557 4.328 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469381697 883518023 /nfs/dbraw/zinc/51/80/23/883518023.db2.gz PWDGNLPMDNQMID-IIBYNOLFSA-N 1 2 404.445 4.409 20 30 HIEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)c1cccc(Cl)c1 ZINC000469463850 883677948 /nfs/dbraw/zinc/67/79/48/883677948.db2.gz ATCAUTLYIBZIDG-HNNXBMFYSA-N 1 2 403.860 4.354 20 30 HIEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)c1cccc(Cl)c1 ZINC000469463850 883677956 /nfs/dbraw/zinc/67/79/56/883677956.db2.gz ATCAUTLYIBZIDG-HNNXBMFYSA-N 1 2 403.860 4.354 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025137 884245149 /nfs/dbraw/zinc/24/51/49/884245149.db2.gz SOSRJZGTTYMHRH-CJNGLKHVSA-N 1 2 404.297 4.345 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025137 884245162 /nfs/dbraw/zinc/24/51/62/884245162.db2.gz SOSRJZGTTYMHRH-CJNGLKHVSA-N 1 2 404.297 4.345 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471980484 886808690 /nfs/dbraw/zinc/80/86/90/886808690.db2.gz RSBFKZBTKVIVAT-YLJYHZDGSA-N 1 2 402.420 4.241 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471980484 886808701 /nfs/dbraw/zinc/80/87/01/886808701.db2.gz RSBFKZBTKVIVAT-YLJYHZDGSA-N 1 2 402.420 4.241 20 30 HIEDLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000504462541 913266013 /nfs/dbraw/zinc/26/60/13/913266013.db2.gz JYRRUMAAIFOAAU-OAQYLSRUSA-N 1 2 406.530 4.001 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1F ZINC000474615760 889480813 /nfs/dbraw/zinc/48/08/13/889480813.db2.gz GJLHQMSWCXQLQT-UHFFFAOYSA-N 1 2 401.401 4.459 20 30 HIEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000475332926 890253116 /nfs/dbraw/zinc/25/31/16/890253116.db2.gz GHQWGKIYXYUZMR-OAQYLSRUSA-N 1 2 409.896 4.252 20 30 HIEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000475343664 890266214 /nfs/dbraw/zinc/26/62/14/890266214.db2.gz RDKLXXNHQOZLRD-FQEVSTJZSA-N 1 2 409.946 4.241 20 30 HIEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000477066754 892001195 /nfs/dbraw/zinc/00/11/95/892001195.db2.gz NJAULTRFHXOIRA-SFNQZPIRSA-N 1 2 407.539 4.168 20 30 HIEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000477066754 892001211 /nfs/dbraw/zinc/00/12/11/892001211.db2.gz NJAULTRFHXOIRA-SFNQZPIRSA-N 1 2 407.539 4.168 20 30 HIEDLO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000479355630 894653075 /nfs/dbraw/zinc/65/30/75/894653075.db2.gz DPOFGRPULGMDDT-SFHVURJKSA-N 1 2 402.498 4.201 20 30 HIEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC#Cc2ccccc2)c2ccc(F)c(F)c2)c1 ZINC000479476705 894800335 /nfs/dbraw/zinc/80/03/35/894800335.db2.gz BFYLGQGQEXMCGC-HSZRJFAPSA-N 1 2 411.473 4.099 20 30 HIEDLO C=C(C)C[N@@H+](C)Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1 ZINC000481260217 896611400 /nfs/dbraw/zinc/61/14/00/896611400.db2.gz RXAPDKLZOZMWAQ-UHFFFAOYSA-N 1 2 410.543 4.170 20 30 HIEDLO C=C(C)C[N@H+](C)Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1 ZINC000481260217 896611409 /nfs/dbraw/zinc/61/14/09/896611409.db2.gz RXAPDKLZOZMWAQ-UHFFFAOYSA-N 1 2 410.543 4.170 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000481820397 897192940 /nfs/dbraw/zinc/19/29/40/897192940.db2.gz CAVFPRFVPIFGBX-NEWSRXKRSA-N 1 2 408.502 4.083 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000481820397 897192947 /nfs/dbraw/zinc/19/29/47/897192947.db2.gz CAVFPRFVPIFGBX-NEWSRXKRSA-N 1 2 408.502 4.083 20 30 HIEDLO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)o2)cc1 ZINC000481982356 897375352 /nfs/dbraw/zinc/37/53/52/897375352.db2.gz FNYFIALWHUVWCO-HSZRJFAPSA-N 1 2 402.450 4.178 20 30 HIEDLO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)o2)cc1 ZINC000481982356 897375370 /nfs/dbraw/zinc/37/53/70/897375370.db2.gz FNYFIALWHUVWCO-HSZRJFAPSA-N 1 2 402.450 4.178 20 30 HIEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000483249005 898891282 /nfs/dbraw/zinc/89/12/82/898891282.db2.gz SRFQLFGMXXMLDT-HXUWFJFHSA-N 1 2 414.509 4.373 20 30 HIEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000483715821 899374394 /nfs/dbraw/zinc/37/43/94/899374394.db2.gz XEOLUHYBWZETON-LLVKDONJSA-N 1 2 401.239 4.361 20 30 HIEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000505938871 914590988 /nfs/dbraw/zinc/59/09/88/914590988.db2.gz QHWQGTFPHHMDRW-HNNXBMFYSA-N 1 2 416.224 4.082 20 30 HIEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000490072809 903759131 /nfs/dbraw/zinc/75/91/31/903759131.db2.gz PBXRIXDTMQAZJX-LLVKDONJSA-N 1 2 416.856 4.413 20 30 HIEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490224723 903836836 /nfs/dbraw/zinc/83/68/36/903836836.db2.gz NWOZDJHMONBWRW-SFTDATJTSA-N 1 2 403.448 4.247 20 30 HIEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490224723 903836841 /nfs/dbraw/zinc/83/68/41/903836841.db2.gz NWOZDJHMONBWRW-SFTDATJTSA-N 1 2 403.448 4.247 20 30 HIEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490236241 903845227 /nfs/dbraw/zinc/84/52/27/903845227.db2.gz DJMCVQINAFLHHO-VXKWHMMOSA-N 1 2 415.484 4.116 20 30 HIEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490236241 903845232 /nfs/dbraw/zinc/84/52/32/903845232.db2.gz DJMCVQINAFLHHO-VXKWHMMOSA-N 1 2 415.484 4.116 20 30 HIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000491302525 904525195 /nfs/dbraw/zinc/52/51/95/904525195.db2.gz BZMLSQXITVCSBY-LJQANCHMSA-N 1 2 409.511 4.343 20 30 HIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000491302525 904525204 /nfs/dbraw/zinc/52/52/04/904525204.db2.gz BZMLSQXITVCSBY-LJQANCHMSA-N 1 2 409.511 4.343 20 30 HIEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000491315176 904532364 /nfs/dbraw/zinc/53/23/64/904532364.db2.gz HJQLIHKATLVQQV-UHFFFAOYSA-N 1 2 402.292 4.247 20 30 HIEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000491315176 904532367 /nfs/dbraw/zinc/53/23/67/904532367.db2.gz HJQLIHKATLVQQV-UHFFFAOYSA-N 1 2 402.292 4.247 20 30 HIEDLO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2Cl)n1 ZINC000506248285 914862255 /nfs/dbraw/zinc/86/22/55/914862255.db2.gz WGUBBIHYLZQUIN-UHFFFAOYSA-N 1 2 419.960 4.320 20 30 HIEDLO Cn1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2Cl)n1 ZINC000506248285 914862256 /nfs/dbraw/zinc/86/22/56/914862256.db2.gz WGUBBIHYLZQUIN-UHFFFAOYSA-N 1 2 419.960 4.320 20 30 HIEDLO COc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc(Cl)c1OC ZINC000512410129 921142344 /nfs/dbraw/zinc/14/23/44/921142344.db2.gz QZBKYAZJCCREQW-UHFFFAOYSA-N 1 2 422.916 4.099 20 30 HIEDLO Cc1csc(C2([NH2+]CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)CCC2)n1 ZINC000494788267 905989874 /nfs/dbraw/zinc/98/98/74/905989874.db2.gz PZEZBOAVMKNRNJ-UHFFFAOYSA-N 1 2 411.575 4.464 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000512506739 921205341 /nfs/dbraw/zinc/20/53/41/921205341.db2.gz PHJJXBBMIWCJGV-QFIPXVFZSA-N 1 2 416.516 4.312 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000512506739 921205357 /nfs/dbraw/zinc/20/53/57/921205357.db2.gz PHJJXBBMIWCJGV-QFIPXVFZSA-N 1 2 416.516 4.312 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000497096245 906805118 /nfs/dbraw/zinc/80/51/18/906805118.db2.gz IAXCWIZCQSEUTB-UHFFFAOYSA-N 1 2 408.509 4.208 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000497096245 906805121 /nfs/dbraw/zinc/80/51/21/906805121.db2.gz IAXCWIZCQSEUTB-UHFFFAOYSA-N 1 2 408.509 4.208 20 30 HIEDLO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Cl ZINC000512818606 921322496 /nfs/dbraw/zinc/32/24/96/921322496.db2.gz WDLXXHCFCAXDEV-UHFFFAOYSA-N 1 2 401.869 4.141 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)c(F)c1 ZINC000512825971 921329074 /nfs/dbraw/zinc/32/90/74/921329074.db2.gz AYQUSHLHSMOBRI-UHFFFAOYSA-N 1 2 403.457 4.332 20 30 HIEDLO C=CCN(Cc1ccccc1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000499156038 908512511 /nfs/dbraw/zinc/51/25/11/908512511.db2.gz GCCHFIFLBMXIHF-FCHUYYIVSA-N 1 2 413.949 4.110 20 30 HIEDLO C=CCN(Cc1ccccc1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000499156038 908512519 /nfs/dbraw/zinc/51/25/19/908512519.db2.gz GCCHFIFLBMXIHF-FCHUYYIVSA-N 1 2 413.949 4.110 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)C1=O ZINC000500169996 909655781 /nfs/dbraw/zinc/65/57/81/909655781.db2.gz MTCVETXXPPLFNL-KRWDZBQOSA-N 1 2 403.910 4.339 20 30 HIEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)s1 ZINC000513073258 921527909 /nfs/dbraw/zinc/52/79/09/921527909.db2.gz DNSYBPHHRCLVHD-KRWDZBQOSA-N 1 2 402.951 4.252 20 30 HIEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000500611862 909965422 /nfs/dbraw/zinc/96/54/22/909965422.db2.gz UFCLTRRUEPXIEX-UHFFFAOYSA-N 1 2 407.315 4.191 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000502156805 911077235 /nfs/dbraw/zinc/07/72/35/911077235.db2.gz RVUSDDDYUORDLH-PKTZIBPZSA-N 1 2 422.479 4.081 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000502156805 911077257 /nfs/dbraw/zinc/07/72/57/911077257.db2.gz RVUSDDDYUORDLH-PKTZIBPZSA-N 1 2 422.479 4.081 20 30 HIEDLO N#Cc1cccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c1F ZINC000513235318 921648792 /nfs/dbraw/zinc/64/87/92/921648792.db2.gz ASESBXRECPKWFS-UHFFFAOYSA-N 1 2 407.518 4.225 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502531682 911537148 /nfs/dbraw/zinc/53/71/48/911537148.db2.gz RDUPZTOBDKTANE-HNNXBMFYSA-N 1 2 402.523 4.096 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502531682 911537161 /nfs/dbraw/zinc/53/71/61/911537161.db2.gz RDUPZTOBDKTANE-HNNXBMFYSA-N 1 2 402.523 4.096 20 30 HIEDLO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1cccs1 ZINC000503217625 912200404 /nfs/dbraw/zinc/20/04/04/912200404.db2.gz HZRQGIUDDKSVQY-JOCHJYFZSA-N 1 2 410.587 4.035 20 30 HIEDLO CC(C)(C)[C@H](NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)c1cccs1 ZINC000503217625 912200423 /nfs/dbraw/zinc/20/04/23/912200423.db2.gz HZRQGIUDDKSVQY-JOCHJYFZSA-N 1 2 410.587 4.035 20 30 HIEDLO C[C@H](c1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1)[NH+]1CCOCC1 ZINC000503232429 912211751 /nfs/dbraw/zinc/21/17/51/912211751.db2.gz NJYHDZATVXBJDW-GOSISDBHSA-N 1 2 408.502 4.406 20 30 HIEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC2)c1 ZINC000506655662 915328967 /nfs/dbraw/zinc/32/89/67/915328967.db2.gz VEFBVVHLTFCBEG-UHFFFAOYSA-N 1 2 401.495 4.145 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@H+]2CCCN(c3ccccc3F)CC2)c2ccccc21 ZINC000513398491 921767099 /nfs/dbraw/zinc/76/70/99/921767099.db2.gz TVVLEEIWGMKAEH-UHFFFAOYSA-N 1 2 404.489 4.089 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCCN(c3ccccc3F)CC2)c2ccccc21 ZINC000513398491 921767105 /nfs/dbraw/zinc/76/71/05/921767105.db2.gz TVVLEEIWGMKAEH-UHFFFAOYSA-N 1 2 404.489 4.089 20 30 HIEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507848531 916666903 /nfs/dbraw/zinc/66/69/03/916666903.db2.gz PBXTVLGOFNRQGG-OAHLLOKOSA-N 1 2 406.511 4.038 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000508332324 917135523 /nfs/dbraw/zinc/13/55/23/917135523.db2.gz HLXNRPLOOHMURW-IBGZPJMESA-N 1 2 405.542 4.233 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000508332324 917135533 /nfs/dbraw/zinc/13/55/33/917135533.db2.gz HLXNRPLOOHMURW-IBGZPJMESA-N 1 2 405.542 4.233 20 30 HIEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)c1 ZINC000509233114 917928428 /nfs/dbraw/zinc/92/84/28/917928428.db2.gz GTLQFPSLPKHYCB-GOSISDBHSA-N 1 2 422.529 4.265 20 30 HIEDLO N#Cc1ccc(N2CCC(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2)c(F)c1 ZINC000509511578 918158643 /nfs/dbraw/zinc/15/86/43/918158643.db2.gz WUEUROLOVKNHOW-UHFFFAOYSA-N 1 2 423.879 4.392 20 30 HIEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000509764054 918378956 /nfs/dbraw/zinc/37/89/56/918378956.db2.gz AEUPDXRHTCNVKK-LJQANCHMSA-N 1 2 416.525 4.351 20 30 HIEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000509764054 918378980 /nfs/dbraw/zinc/37/89/80/918378980.db2.gz AEUPDXRHTCNVKK-LJQANCHMSA-N 1 2 416.525 4.351 20 30 HIEDLO N#Cc1ccc(C[N@@H+](Cc2cnc(N3CCOCC3)s2)Cc2cccc(F)c2)cc1 ZINC000510415195 918883599 /nfs/dbraw/zinc/88/35/99/918883599.db2.gz QONRTEUTUIWEJF-UHFFFAOYSA-N 1 2 422.529 4.193 20 30 HIEDLO N#Cc1ccc(C[N@H+](Cc2cnc(N3CCOCC3)s2)Cc2cccc(F)c2)cc1 ZINC000510415195 918883600 /nfs/dbraw/zinc/88/36/00/918883600.db2.gz QONRTEUTUIWEJF-UHFFFAOYSA-N 1 2 422.529 4.193 20 30 HIEDLO N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000510426073 918890862 /nfs/dbraw/zinc/89/08/62/918890862.db2.gz FUBDHVPVXDPRTR-SFHVURJKSA-N 1 2 400.507 4.113 20 30 HIEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000510442418 918899663 /nfs/dbraw/zinc/89/96/63/918899663.db2.gz PDTSVSJBRCBSRF-LJQANCHMSA-N 1 2 418.884 4.408 20 30 HIEDLO C=CCOc1ccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000513596241 921926490 /nfs/dbraw/zinc/92/64/90/921926490.db2.gz YPFFEEAQZCUMMD-MRXNPFEDSA-N 1 2 400.548 4.262 20 30 HIEDLO C=CCOc1ccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000513596241 921926506 /nfs/dbraw/zinc/92/65/06/921926506.db2.gz YPFFEEAQZCUMMD-MRXNPFEDSA-N 1 2 400.548 4.262 20 30 HIEDLO C=C(C)CN(CC)C(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000519138183 927801401 /nfs/dbraw/zinc/80/14/01/927801401.db2.gz ZCBURUARGAOHIH-UHFFFAOYSA-N 1 2 412.965 4.095 20 30 HIEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000520940271 928883282 /nfs/dbraw/zinc/88/32/82/928883282.db2.gz KVADGELSXWFCAO-GOSISDBHSA-N 1 2 424.570 4.439 20 30 HIEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000522068735 929628377 /nfs/dbraw/zinc/62/83/77/929628377.db2.gz CVOYRRPZMVUSFF-UHFFFAOYSA-N 1 2 422.504 4.028 20 30 HIEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000522068735 929628384 /nfs/dbraw/zinc/62/83/84/929628384.db2.gz CVOYRRPZMVUSFF-UHFFFAOYSA-N 1 2 422.504 4.028 20 30 HIEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1C(F)(F)F ZINC000525010701 929972313 /nfs/dbraw/zinc/97/23/13/929972313.db2.gz GKWQDMWKRSPNAT-QGZVFWFLSA-N 1 2 415.459 4.415 20 30 HIEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccc(F)cc2)c1 ZINC000525689183 930404910 /nfs/dbraw/zinc/40/49/10/930404910.db2.gz IEJMTCJFWPEGPS-QFIPXVFZSA-N 1 2 412.461 4.119 20 30 HIEDLO C[C@@H]1CN(c2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)c[nH+]2)C[C@@H](C)O1 ZINC000525998773 930504179 /nfs/dbraw/zinc/50/41/79/930504179.db2.gz JZWSZAFSTCVIIQ-RTBURBONSA-N 1 2 416.529 4.084 20 30 HIEDLO N#Cc1ccc(CSCC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000534554195 932560979 /nfs/dbraw/zinc/56/09/79/932560979.db2.gz LJMBXUBXZIBDFI-UHFFFAOYSA-N 1 2 400.507 4.345 20 30 HIEDLO COC(=O)c1cccc(C[N@H+]2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)c1C#N ZINC000535204940 933013733 /nfs/dbraw/zinc/01/37/33/933013733.db2.gz GGBDPGRCYLCLCX-UHFFFAOYSA-N 1 2 401.466 4.124 20 30 HIEDLO COC(=O)c1cccc(C[N@@H+]2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)c1C#N ZINC000535204940 933013741 /nfs/dbraw/zinc/01/37/41/933013741.db2.gz GGBDPGRCYLCLCX-UHFFFAOYSA-N 1 2 401.466 4.124 20 30 HIEDLO C[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)N(CCC#N)c1ccccc1 ZINC000535233521 933030936 /nfs/dbraw/zinc/03/09/36/933030936.db2.gz JYMAZFPOKMIVLF-LJQANCHMSA-N 1 2 411.509 4.349 20 30 HIEDLO N#Cc1ccc(Cl)cc1NC(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535513976 933206174 /nfs/dbraw/zinc/20/61/74/933206174.db2.gz TYGXRNHYQYNEPH-UHFFFAOYSA-N 1 2 403.873 4.177 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000535667691 933314651 /nfs/dbraw/zinc/31/46/51/933314651.db2.gz OCEXBUSHPZTGLQ-QGZVFWFLSA-N 1 2 405.477 4.131 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000535667691 933314665 /nfs/dbraw/zinc/31/46/65/933314665.db2.gz OCEXBUSHPZTGLQ-QGZVFWFLSA-N 1 2 405.477 4.131 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538024213 938468573 /nfs/dbraw/zinc/46/85/73/938468573.db2.gz PLKJBPOUKDEEPS-RFVSGWPVSA-N 1 2 415.896 4.070 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538024213 938468583 /nfs/dbraw/zinc/46/85/83/938468583.db2.gz PLKJBPOUKDEEPS-RFVSGWPVSA-N 1 2 415.896 4.070 20 30 HIEDLO N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000540634052 939324812 /nfs/dbraw/zinc/32/48/12/939324812.db2.gz MCTYCRHZUUANNV-NRFANRHFSA-N 1 2 415.497 4.225 20 30 HIEDLO CSc1ccc([C@@H](CNC(=O)NC[C@H](C)C#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000541016854 939431823 /nfs/dbraw/zinc/43/18/23/939431823.db2.gz MJEYOEFVYKNCKB-DNVCBOLYSA-N 1 2 414.600 4.028 20 30 HIEDLO CSc1ccc([C@@H](CNC(=O)NC[C@H](C)C#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000541016854 939431826 /nfs/dbraw/zinc/43/18/26/939431826.db2.gz MJEYOEFVYKNCKB-DNVCBOLYSA-N 1 2 414.600 4.028 20 30 HIEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)C1CC1 ZINC000541293831 939489745 /nfs/dbraw/zinc/48/97/45/939489745.db2.gz AXVYSZDBWCTERR-SFTDATJTSA-N 1 2 402.325 4.481 20 30 HIEDLO C[C@](C#N)(NC(=O)C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)C1CC1 ZINC000541293826 939489759 /nfs/dbraw/zinc/48/97/59/939489759.db2.gz AXVYSZDBWCTERR-LEWJYISDSA-N 1 2 402.325 4.481 20 30 HIEDLO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1nccs1 ZINC000541595597 939562552 /nfs/dbraw/zinc/56/25/52/939562552.db2.gz VBDBOFTYJPBEEG-SFHVURJKSA-N 1 2 411.506 4.241 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)c1C#N ZINC000563702051 945258281 /nfs/dbraw/zinc/25/82/81/945258281.db2.gz GRDRKAHXOMVFDJ-UHFFFAOYSA-N 1 2 405.546 4.480 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)c1C#N ZINC000563702051 945258299 /nfs/dbraw/zinc/25/82/99/945258299.db2.gz GRDRKAHXOMVFDJ-UHFFFAOYSA-N 1 2 405.546 4.480 20 30 HIEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c3ccccc3)n2)cc1F ZINC000541688737 939603491 /nfs/dbraw/zinc/60/34/91/939603491.db2.gz COYCJZVHHPAZQD-IAGOWNOFSA-N 1 2 421.476 4.170 20 30 HIEDLO Cc1nc(NCc2cccc(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)c2)cc[nH+]1 ZINC000542651235 939851615 /nfs/dbraw/zinc/85/16/15/939851615.db2.gz BXISCTATLXEZPS-UHFFFAOYSA-N 1 2 401.470 4.308 20 30 HIEDLO Cc1nc(NCc2cccc(C(=O)Nc3cccc(OCCCC#N)c3)c2)cc[nH+]1 ZINC000543539842 940098726 /nfs/dbraw/zinc/09/87/26/940098726.db2.gz GUDPVQYNOFTWKH-UHFFFAOYSA-N 1 2 401.470 4.332 20 30 HIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2)cc1 ZINC000544517895 940469158 /nfs/dbraw/zinc/46/91/58/940469158.db2.gz CSDZLOVUOYLXJU-NNZNXZITSA-N 1 2 423.561 4.269 20 30 HIEDLO COc1c(Br)cc(CNc2cc(CC#N)cc[nH+]2)cc1Br ZINC000546634202 940863169 /nfs/dbraw/zinc/86/31/69/940863169.db2.gz SJEJLAQJZGJCBT-UHFFFAOYSA-N 1 2 411.097 4.293 20 30 HIEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc2ccccc2c1 ZINC000548798516 941124560 /nfs/dbraw/zinc/12/45/60/941124560.db2.gz APPZCRHERAIBJQ-WOJBJXKFSA-N 1 2 412.537 4.358 20 30 HIEDLO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)C1=O ZINC000549446132 941190870 /nfs/dbraw/zinc/19/08/70/941190870.db2.gz LOUIGUIUIMASHE-FZMZJTMJSA-N 1 2 412.349 4.304 20 30 HIEDLO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)C1=O ZINC000549446132 941190871 /nfs/dbraw/zinc/19/08/71/941190871.db2.gz LOUIGUIUIMASHE-FZMZJTMJSA-N 1 2 412.349 4.304 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552122686 941589346 /nfs/dbraw/zinc/58/93/46/941589346.db2.gz ISTLHOSMZJFOOI-PMACEKPBSA-N 1 2 415.871 4.083 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552122686 941589348 /nfs/dbraw/zinc/58/93/48/941589348.db2.gz ISTLHOSMZJFOOI-PMACEKPBSA-N 1 2 415.871 4.083 20 30 HIEDLO C[C@@H](c1nnc(Sc2nccc(C#N)c2Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000553250784 941856654 /nfs/dbraw/zinc/85/66/54/941856654.db2.gz MZCJNXFDJGRDKT-NSHDSACASA-N 1 2 402.886 4.100 20 30 HIEDLO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000555219958 942434399 /nfs/dbraw/zinc/43/43/99/942434399.db2.gz HSOLOLVYWCXCLH-QFIPXVFZSA-N 1 2 420.561 4.015 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000557584340 943220193 /nfs/dbraw/zinc/22/01/93/943220193.db2.gz ZBPULHDARLDXMY-LJQANCHMSA-N 1 2 424.570 4.167 20 30 HIEDLO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000564439241 945589883 /nfs/dbraw/zinc/58/98/83/945589883.db2.gz QXELNAZVHLDWIP-IIBYNOLFSA-N 1 2 402.458 4.057 20 30 HIEDLO N#CC1(CNC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC000567445158 946342105 /nfs/dbraw/zinc/34/21/05/946342105.db2.gz YRZOBMZTZYZIEK-NRFANRHFSA-N 1 2 408.933 4.060 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1C#N ZINC000568568059 946606416 /nfs/dbraw/zinc/60/64/16/946606416.db2.gz DIGKIELREQOGLC-ZDUSSCGKSA-N 1 2 404.436 4.021 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1C#N ZINC000568568059 946606450 /nfs/dbraw/zinc/60/64/50/946606450.db2.gz DIGKIELREQOGLC-ZDUSSCGKSA-N 1 2 404.436 4.021 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000569560480 946890697 /nfs/dbraw/zinc/89/06/97/946890697.db2.gz BQAHUVIIAXNERC-HSZRJFAPSA-N 1 2 405.542 4.070 20 30 HIEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2noc3c2CCCC3)cc1OC ZINC000569644433 946916682 /nfs/dbraw/zinc/91/66/82/946916682.db2.gz ZVJNHKZMXMVCKT-UHFFFAOYSA-N 1 2 407.308 4.179 20 30 HIEDLO C=CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nc2sc3c(c2c1=O)CCC3 ZINC000005902228 845151984 /nfs/dbraw/zinc/15/19/84/845151984.db2.gz FQEYGJVDWQIOQM-UHFFFAOYSA-N 1 2 408.552 4.381 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000010085756 845618859 /nfs/dbraw/zinc/61/88/59/845618859.db2.gz GTFRAAJCPJYHRX-RTWAWAEBSA-N 1 2 413.443 4.025 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)c1C#N ZINC000014929359 845993327 /nfs/dbraw/zinc/99/33/27/845993327.db2.gz VKWFKBOSJJUUDZ-UHFFFAOYSA-N 1 2 404.489 4.235 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)Cc2cccc(F)c2)c1C#N ZINC000014929359 845993332 /nfs/dbraw/zinc/99/33/32/845993332.db2.gz VKWFKBOSJJUUDZ-UHFFFAOYSA-N 1 2 404.489 4.235 20 30 HIEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC000031164907 847834003 /nfs/dbraw/zinc/83/40/03/847834003.db2.gz WSBDYKRHHOVRCD-UHFFFAOYSA-N 1 2 405.498 4.384 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000043329888 848409938 /nfs/dbraw/zinc/40/99/38/848409938.db2.gz VHSJBPSPSKBSHH-UHFFFAOYSA-N 1 2 403.486 4.278 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(C#N)c1 ZINC000043330111 848410440 /nfs/dbraw/zinc/41/04/40/848410440.db2.gz WSAOYHMPFDGSNL-UHFFFAOYSA-N 1 2 403.486 4.278 20 30 HIEDLO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000046225785 848807448 /nfs/dbraw/zinc/80/74/48/848807448.db2.gz RTUUGMLKSUMXNR-FQEVSTJZSA-N 1 2 414.912 4.329 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1C ZINC000051429893 849468635 /nfs/dbraw/zinc/46/86/35/849468635.db2.gz DVQXAXLOVBZYMC-HXUWFJFHSA-N 1 2 411.571 4.293 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1C ZINC000051429893 849468638 /nfs/dbraw/zinc/46/86/38/849468638.db2.gz DVQXAXLOVBZYMC-HXUWFJFHSA-N 1 2 411.571 4.293 20 30 HIEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cc(Br)cs1 ZINC000052847794 849632807 /nfs/dbraw/zinc/63/28/07/849632807.db2.gz XOZKDYRHGDXULT-UHFFFAOYSA-N 1 2 410.362 4.197 20 30 HIEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cc(Br)cs1 ZINC000052847794 849632812 /nfs/dbraw/zinc/63/28/12/849632812.db2.gz XOZKDYRHGDXULT-UHFFFAOYSA-N 1 2 410.362 4.197 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(OCC(C)C)CC2)c1C#N ZINC000054325557 849848736 /nfs/dbraw/zinc/84/87/36/849848736.db2.gz NPUVBEHSFVQTRO-UHFFFAOYSA-N 1 2 400.567 4.167 20 30 HIEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccc(OC)cc1 ZINC000059423157 851007132 /nfs/dbraw/zinc/00/71/32/851007132.db2.gz LVFVLNRJDQHGLX-OAQYLSRUSA-N 1 2 419.481 4.247 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccc(OC)cc1 ZINC000059423157 851007140 /nfs/dbraw/zinc/00/71/40/851007140.db2.gz LVFVLNRJDQHGLX-OAQYLSRUSA-N 1 2 419.481 4.247 20 30 HIEDLO C=CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)Cc1cccc(C#N)c1 ZINC000063299992 851654393 /nfs/dbraw/zinc/65/43/93/851654393.db2.gz PQZRSOWILOIAIH-UHFFFAOYSA-N 1 2 418.360 4.029 20 30 HIEDLO C=CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)Cc1cccc(C#N)c1 ZINC000063299992 851654403 /nfs/dbraw/zinc/65/44/03/851654403.db2.gz PQZRSOWILOIAIH-UHFFFAOYSA-N 1 2 418.360 4.029 20 30 HIEDLO NC(=[NH+]OCc1cccc(Br)c1)c1ccc(OCc2cccnc2)cc1 ZINC000072078542 852499050 /nfs/dbraw/zinc/49/90/50/852499050.db2.gz BNTLXTSEULTQEM-UHFFFAOYSA-N 1 2 412.287 4.260 20 30 HIEDLO COc1ccc([C@H](CNc2ccc(C#N)c(C(F)(F)F)c2)[NH+]2CCOCC2)cc1 ZINC000078721725 852527945 /nfs/dbraw/zinc/52/79/45/852527945.db2.gz HVKSBGGJWDJMOM-FQEVSTJZSA-N 1 2 405.420 4.071 20 30 HIEDLO COc1ccc([C@@H](CNc2ccc(C#N)c(C(F)(F)F)c2)[NH+]2CCOCC2)cc1 ZINC000078721723 852528347 /nfs/dbraw/zinc/52/83/47/852528347.db2.gz HVKSBGGJWDJMOM-HXUWFJFHSA-N 1 2 405.420 4.071 20 30 HIEDLO C=CCn1c(COc2ccccc2F)nnc1SCc1[nH+]cc(C)c(OC)c1C ZINC000079306535 852540510 /nfs/dbraw/zinc/54/05/10/852540510.db2.gz VAYMWCZBNGJQLK-UHFFFAOYSA-N 1 2 414.506 4.495 20 30 HIEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000104770802 852675965 /nfs/dbraw/zinc/67/59/65/852675965.db2.gz PHMDSWOXCRSUCD-OAHLLOKOSA-N 1 2 417.340 4.010 20 30 HIEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cc(C#N)cs2)c2ccc(F)c(F)c2)c1 ZINC000237472790 854040094 /nfs/dbraw/zinc/04/00/94/854040094.db2.gz FEVCFBJGNQJLOB-FQEVSTJZSA-N 1 2 418.490 4.181 20 30 HIEDLO CSc1ccc([C@@H](CNc2nccnc2C#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000301186958 854322933 /nfs/dbraw/zinc/32/29/33/854322933.db2.gz PTQZERZOZHDTQJ-LJQANCHMSA-N 1 2 407.568 4.343 20 30 HIEDLO CSc1ccc([C@@H](CNc2nccnc2C#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000301186958 854322940 /nfs/dbraw/zinc/32/29/40/854322940.db2.gz PTQZERZOZHDTQJ-LJQANCHMSA-N 1 2 407.568 4.343 20 30 HIEDLO N#CCc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000303495503 854985039 /nfs/dbraw/zinc/98/50/39/854985039.db2.gz TXWYEGBROAVFTM-LJQANCHMSA-N 1 2 400.885 4.331 20 30 HIEDLO N#CCc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000303495503 854985043 /nfs/dbraw/zinc/98/50/43/854985043.db2.gz TXWYEGBROAVFTM-LJQANCHMSA-N 1 2 400.885 4.331 20 30 HIEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCC(O)(CC)CC3)sc2C1 ZINC000426428480 856286252 /nfs/dbraw/zinc/28/62/52/856286252.db2.gz RWVAQPNBNAYIRQ-MRXNPFEDSA-N 1 2 417.619 4.336 20 30 HIEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000428346264 857164018 /nfs/dbraw/zinc/16/40/18/857164018.db2.gz DZNSNITUORPMGY-GOSISDBHSA-N 1 2 403.461 4.052 20 30 HIEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000428346264 857164022 /nfs/dbraw/zinc/16/40/22/857164022.db2.gz DZNSNITUORPMGY-GOSISDBHSA-N 1 2 403.461 4.052 20 30 HIEDLO C=CCN(C)C(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000429942862 857961088 /nfs/dbraw/zinc/96/10/88/857961088.db2.gz MLZVAZGKABONEF-IBGZPJMESA-N 1 2 401.601 4.397 20 30 HIEDLO C=CCN(C)C(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000429942862 857961098 /nfs/dbraw/zinc/96/10/98/857961098.db2.gz MLZVAZGKABONEF-IBGZPJMESA-N 1 2 401.601 4.397 20 30 HIEDLO N#CCCC[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000431817044 858826376 /nfs/dbraw/zinc/82/63/76/858826376.db2.gz BLDYJICGCCWDJF-JOCHJYFZSA-N 1 2 401.514 4.208 20 30 HIEDLO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1Br ZINC000434836870 860514481 /nfs/dbraw/zinc/51/44/81/860514481.db2.gz POPLBOQNXANDRA-UHFFFAOYSA-N 1 2 410.319 4.253 20 30 HIEDLO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1Br ZINC000434836870 860514492 /nfs/dbraw/zinc/51/44/92/860514492.db2.gz POPLBOQNXANDRA-UHFFFAOYSA-N 1 2 410.319 4.253 20 30 HIEDLO N#Cc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1C(F)(F)F ZINC000438643434 864080931 /nfs/dbraw/zinc/08/09/31/864080931.db2.gz TVAWNURTKMBWFQ-UHFFFAOYSA-N 1 2 413.403 4.186 20 30 HIEDLO CCCc1c(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cnn1-c1cccc(C#N)c1 ZINC000440068459 865335881 /nfs/dbraw/zinc/33/58/81/865335881.db2.gz HGKQVXRXNCFFSJ-SFHVURJKSA-N 1 2 413.525 4.082 20 30 HIEDLO CCCc1c(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cnn1-c1cccc(C#N)c1 ZINC000440068459 865335899 /nfs/dbraw/zinc/33/58/99/865335899.db2.gz HGKQVXRXNCFFSJ-SFHVURJKSA-N 1 2 413.525 4.082 20 30 HIEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)c1 ZINC000440241347 865478541 /nfs/dbraw/zinc/47/85/41/865478541.db2.gz KIAJLYGQZOSNQF-XXBNENTESA-N 1 2 406.530 4.128 20 30 HIEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)c1 ZINC000440241345 865480220 /nfs/dbraw/zinc/48/02/20/865480220.db2.gz KIAJLYGQZOSNQF-CVDCTZTESA-N 1 2 406.530 4.128 20 30 HIEDLO N#CC1CCC(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000440993512 866070470 /nfs/dbraw/zinc/07/04/70/866070470.db2.gz WEWBHNFJJLYNTF-RJYAGPCLSA-N 1 2 406.933 4.245 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441085089 866178054 /nfs/dbraw/zinc/17/80/54/866178054.db2.gz KUHCWFHJCRJZCV-OCCSQVGLSA-N 1 2 408.449 4.240 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441085089 866178065 /nfs/dbraw/zinc/17/80/65/866178065.db2.gz KUHCWFHJCRJZCV-OCCSQVGLSA-N 1 2 408.449 4.240 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)cc1 ZINC000441112855 866209910 /nfs/dbraw/zinc/20/99/10/866209910.db2.gz DSTDZCJGRBMVGC-UHFFFAOYSA-N 1 2 416.447 4.403 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000441626462 866727215 /nfs/dbraw/zinc/72/72/15/866727215.db2.gz XXBRBDKKSANNOU-MRXNPFEDSA-N 1 2 412.921 4.349 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000441626462 866727228 /nfs/dbraw/zinc/72/72/28/866727228.db2.gz XXBRBDKKSANNOU-MRXNPFEDSA-N 1 2 412.921 4.349 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443558473 868112783 /nfs/dbraw/zinc/11/27/83/868112783.db2.gz USUFLRVFQCPBDL-UHFFFAOYSA-N 1 2 410.949 4.190 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443558473 868112794 /nfs/dbraw/zinc/11/27/94/868112794.db2.gz USUFLRVFQCPBDL-UHFFFAOYSA-N 1 2 410.949 4.190 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000445176726 869261428 /nfs/dbraw/zinc/26/14/28/869261428.db2.gz RYFSTFRQKZJOFU-KRWDZBQOSA-N 1 2 401.470 4.496 20 30 HIEDLO COc1ccc(F)cc1C[NH+]1CCN(c2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000461463011 874521401 /nfs/dbraw/zinc/52/14/01/874521401.db2.gz HORBWFRVGCNPKT-UHFFFAOYSA-N 1 2 408.452 4.024 20 30 HIEDLO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cccc(C#N)c1 ZINC000461799985 874913785 /nfs/dbraw/zinc/91/37/85/874913785.db2.gz YCCNEGFSJBAEPY-INIZCTEOSA-N 1 2 402.523 4.315 20 30 HIEDLO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cccc(C#N)c1 ZINC000461799985 874913793 /nfs/dbraw/zinc/91/37/93/874913793.db2.gz YCCNEGFSJBAEPY-INIZCTEOSA-N 1 2 402.523 4.315 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000462587668 875705661 /nfs/dbraw/zinc/70/56/61/875705661.db2.gz FAPMSQMEXDFKSQ-JBZDTAIVSA-N 1 2 401.432 4.031 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000462587668 875705678 /nfs/dbraw/zinc/70/56/78/875705678.db2.gz FAPMSQMEXDFKSQ-JBZDTAIVSA-N 1 2 401.432 4.031 20 30 HIEDLO N#Cc1ccc(Br)c(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000503264532 912244888 /nfs/dbraw/zinc/24/48/88/912244888.db2.gz BNMBWUNYAGYCCP-FQEVSTJZSA-N 1 2 408.299 4.014 20 30 HIEDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 ZINC000464830917 878086525 /nfs/dbraw/zinc/08/65/25/878086525.db2.gz BOKQHXHGAZEULI-OXJNMPFZSA-N 1 2 403.486 4.057 20 30 HIEDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 ZINC000464830917 878086549 /nfs/dbraw/zinc/08/65/49/878086549.db2.gz BOKQHXHGAZEULI-OXJNMPFZSA-N 1 2 403.486 4.057 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(OC3CCCC3)CC2)c1C#N ZINC000503587381 912672468 /nfs/dbraw/zinc/67/24/68/912672468.db2.gz SYHPJJVXASJHJR-UHFFFAOYSA-N 1 2 412.578 4.454 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000469384874 883529325 /nfs/dbraw/zinc/52/93/25/883529325.db2.gz XJTFKNYOKFQESS-JPYJTQIMSA-N 1 2 400.482 4.057 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000469939406 884135236 /nfs/dbraw/zinc/13/52/36/884135236.db2.gz QJYJPQVOXGYQSN-UHFFFAOYSA-N 1 2 416.525 4.449 20 30 HIEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000470211294 884532045 /nfs/dbraw/zinc/53/20/45/884532045.db2.gz HHDGPIOFYRDHNK-OAQYLSRUSA-N 1 2 421.342 4.380 20 30 HIEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000471148877 885694920 /nfs/dbraw/zinc/69/49/20/885694920.db2.gz WNKNVQPAORUVPA-VWLOTQADSA-N 1 2 410.521 4.321 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)c1C#N ZINC000472331926 887164868 /nfs/dbraw/zinc/16/48/68/887164868.db2.gz YWOGEYQWHCHCAN-JOCHJYFZSA-N 1 2 419.529 4.122 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)c1C#N ZINC000472331926 887164875 /nfs/dbraw/zinc/16/48/75/887164875.db2.gz YWOGEYQWHCHCAN-JOCHJYFZSA-N 1 2 419.529 4.122 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccs3)C2)sc2c1CCCCC2 ZINC000472816157 887658861 /nfs/dbraw/zinc/65/88/61/887658861.db2.gz IJUVRCOUYLVBON-QGZVFWFLSA-N 1 2 415.584 4.352 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3cccs3)C2)sc2c1CCCCC2 ZINC000472816157 887658865 /nfs/dbraw/zinc/65/88/65/887658865.db2.gz IJUVRCOUYLVBON-QGZVFWFLSA-N 1 2 415.584 4.352 20 30 HIEDLO COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000473005841 887837818 /nfs/dbraw/zinc/83/78/18/887837818.db2.gz BBZGPORVRNFBMC-HSZRJFAPSA-N 1 2 420.557 4.181 20 30 HIEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000473007177 887837850 /nfs/dbraw/zinc/83/78/50/887837850.db2.gz FRBOUAIFXJVEOW-HXUWFJFHSA-N 1 2 418.324 4.073 20 30 HIEDLO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000473067740 887889001 /nfs/dbraw/zinc/88/90/01/887889001.db2.gz SEQIMLRHQHXPIQ-UHFFFAOYSA-N 1 2 402.420 4.235 20 30 HIEDLO C[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000504436908 913248235 /nfs/dbraw/zinc/24/82/35/913248235.db2.gz RUHUATIEAIZPEZ-FOIQADDNSA-N 1 2 412.331 4.335 20 30 HIEDLO C[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000504436909 913248959 /nfs/dbraw/zinc/24/89/59/913248959.db2.gz RUHUATIEAIZPEZ-MGPUTAFESA-N 1 2 412.331 4.335 20 30 HIEDLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000504462456 913265600 /nfs/dbraw/zinc/26/56/00/913265600.db2.gz JYRRUMAAIFOAAU-NRFANRHFSA-N 1 2 406.530 4.001 20 30 HIEDLO CC1(C)OCc2cc(C[NH+]3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)ccc2O1 ZINC000475361934 890289281 /nfs/dbraw/zinc/28/92/81/890289281.db2.gz QFILEGMSZMNSLR-OAQYLSRUSA-N 1 2 411.933 4.368 20 30 HIEDLO C[C@@H]1CN(c2ccc(NCc3cccn3Cc3ccccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000475436216 890356030 /nfs/dbraw/zinc/35/60/30/890356030.db2.gz ZCWKTBVQEQLNMG-KDURUIRLSA-N 1 2 401.514 4.029 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000475755345 890702757 /nfs/dbraw/zinc/70/27/57/890702757.db2.gz LVJMCUGBARIOSE-HNNXBMFYSA-N 1 2 409.223 4.311 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000476415391 891326827 /nfs/dbraw/zinc/32/68/27/891326827.db2.gz NNQFEBUDZLSVHM-UHFFFAOYSA-N 1 2 409.421 4.257 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000476574913 891497571 /nfs/dbraw/zinc/49/75/71/891497571.db2.gz UOZPHMIAFIISPZ-UHFFFAOYSA-N 1 2 416.431 4.478 20 30 HIEDLO C=C(C)[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccc(F)c(F)c1 ZINC000477754920 892846375 /nfs/dbraw/zinc/84/63/75/892846375.db2.gz MQSHNNZFKKSFEY-KKSFZXQISA-N 1 2 400.473 4.065 20 30 HIEDLO Cc1ccc2c(ncc(C#N)c2N[C@@H]2CCN(c3cccc[nH+]3)C2)c1Br ZINC000480079601 895435414 /nfs/dbraw/zinc/43/54/14/895435414.db2.gz CQPJUFYVTMGHHO-OAHLLOKOSA-N 1 2 408.303 4.263 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481705953 897095930 /nfs/dbraw/zinc/09/59/30/897095930.db2.gz WWWOBTSYEHMCHI-MHECFPHRSA-N 1 2 421.566 4.398 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481705953 897095940 /nfs/dbraw/zinc/09/59/40/897095940.db2.gz WWWOBTSYEHMCHI-MHECFPHRSA-N 1 2 421.566 4.398 20 30 HIEDLO COc1cc(OC)cc([C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)c2nccn2C)c1 ZINC000481914178 897297793 /nfs/dbraw/zinc/29/77/93/897297793.db2.gz RXQCIGZOCYIGTD-ZEQRLZLVSA-N 1 2 416.525 4.456 20 30 HIEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)c2)c1 ZINC000505516087 914205847 /nfs/dbraw/zinc/20/58/47/914205847.db2.gz OFNNRJZFXQFFSQ-XMMPIXPASA-N 1 2 415.468 4.063 20 30 HIEDLO C[C@@H](C#N)C[N@H+](CCOc1c(Br)cccc1Br)C1CC1 ZINC000482815693 898425027 /nfs/dbraw/zinc/42/50/27/898425027.db2.gz ZXWHTCGSXSMVPG-NSHDSACASA-N 1 2 402.130 4.214 20 30 HIEDLO C[C@@H](C#N)C[N@@H+](CCOc1c(Br)cccc1Br)C1CC1 ZINC000482815693 898425030 /nfs/dbraw/zinc/42/50/30/898425030.db2.gz ZXWHTCGSXSMVPG-NSHDSACASA-N 1 2 402.130 4.214 20 30 HIEDLO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000484982105 900337757 /nfs/dbraw/zinc/33/77/57/900337757.db2.gz XLHLNMRDWDEVPG-UHFFFAOYSA-N 1 2 419.312 4.223 20 30 HIEDLO Cc1ccc([C@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)[NH+]2CCOCC2)cc1 ZINC000488210224 902693231 /nfs/dbraw/zinc/69/32/31/902693231.db2.gz PUAXHXDVRICUQT-NRFANRHFSA-N 1 2 408.452 4.179 20 30 HIEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000490072815 903758968 /nfs/dbraw/zinc/75/89/68/903758968.db2.gz PBXRIXDTMQAZJX-NSHDSACASA-N 1 2 416.856 4.413 20 30 HIEDLO N#Cc1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cnc1C(F)(F)F ZINC000490544628 904089517 /nfs/dbraw/zinc/08/95/17/904089517.db2.gz LVIQFJCGZIFFAR-UHFFFAOYSA-N 1 2 409.371 4.140 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C ZINC000490798944 904245062 /nfs/dbraw/zinc/24/50/62/904245062.db2.gz CXXWPTMRNHBGRJ-UHFFFAOYSA-N 1 2 406.486 4.123 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C ZINC000490798944 904245069 /nfs/dbraw/zinc/24/50/69/904245069.db2.gz CXXWPTMRNHBGRJ-UHFFFAOYSA-N 1 2 406.486 4.123 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494650735 905884028 /nfs/dbraw/zinc/88/40/28/905884028.db2.gz PBLNTONFAYWSJT-DOTOQJQBSA-N 1 2 401.576 4.107 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494650735 905884031 /nfs/dbraw/zinc/88/40/31/905884031.db2.gz PBLNTONFAYWSJT-DOTOQJQBSA-N 1 2 401.576 4.107 20 30 HIEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)s2)c(C(F)(F)F)c1 ZINC000495067821 906218874 /nfs/dbraw/zinc/21/88/74/906218874.db2.gz PESIUGXQEJMKTC-QGZVFWFLSA-N 1 2 420.460 4.190 20 30 HIEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)s2)c(C(F)(F)F)c1 ZINC000495067821 906218882 /nfs/dbraw/zinc/21/88/82/906218882.db2.gz PESIUGXQEJMKTC-QGZVFWFLSA-N 1 2 420.460 4.190 20 30 HIEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806086 921315013 /nfs/dbraw/zinc/31/50/13/921315013.db2.gz QGTRKLIQAGDEJW-AWEZNQCLSA-N 1 2 401.869 4.221 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC2)c(F)c1 ZINC000512842182 921344343 /nfs/dbraw/zinc/34/43/43/921344343.db2.gz YTFJRWBGQOVVHG-UHFFFAOYSA-N 1 2 412.852 4.444 20 30 HIEDLO N#Cc1ccccc1OCCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498915218 908322716 /nfs/dbraw/zinc/32/27/16/908322716.db2.gz LIDAAOVCOGZFIF-UHFFFAOYSA-N 1 2 404.341 4.104 20 30 HIEDLO COc1cc(C#N)ccc1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000499317238 908689420 /nfs/dbraw/zinc/68/94/20/908689420.db2.gz RUMCTUGSKNBIKJ-UHFFFAOYSA-N 1 2 419.554 4.095 20 30 HIEDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000506540077 915185096 /nfs/dbraw/zinc/18/50/96/915185096.db2.gz MDJJEFPYBHUSOO-UHFFFAOYSA-N 1 2 400.482 4.085 20 30 HIEDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000506540077 915185128 /nfs/dbraw/zinc/18/51/28/915185128.db2.gz MDJJEFPYBHUSOO-UHFFFAOYSA-N 1 2 400.482 4.085 20 30 HIEDLO N#CCCn1cc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000506618701 915277269 /nfs/dbraw/zinc/27/72/69/915277269.db2.gz TWYDHQGIKYOCQY-UHFFFAOYSA-N 1 2 419.573 4.078 20 30 HIEDLO C=C(C)COc1cc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)ccc1OC ZINC000506772286 915482682 /nfs/dbraw/zinc/48/26/82/915482682.db2.gz OEDSAWYTMNACLU-UHFFFAOYSA-N 1 2 418.921 4.383 20 30 HIEDLO C=C(C)COc1cc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)ccc1OC ZINC000506772286 915482695 /nfs/dbraw/zinc/48/26/95/915482695.db2.gz OEDSAWYTMNACLU-UHFFFAOYSA-N 1 2 418.921 4.383 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507256329 916017943 /nfs/dbraw/zinc/01/79/43/916017943.db2.gz VPDUIONTRKSEOK-AWEZNQCLSA-N 1 2 412.534 4.151 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000507786644 916569548 /nfs/dbraw/zinc/56/95/48/916569548.db2.gz ZAEDCQGGUVYIFK-UHFFFAOYSA-N 1 2 403.404 4.059 20 30 HIEDLO N#CCCCCNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000508370599 917171492 /nfs/dbraw/zinc/17/14/92/917171492.db2.gz OYJNKMUMVBCELG-UHFFFAOYSA-N 1 2 400.523 4.075 20 30 HIEDLO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508792397 917548860 /nfs/dbraw/zinc/54/88/60/917548860.db2.gz DXMVLLBBRPMFCN-UHFFFAOYSA-N 1 2 415.328 4.160 20 30 HIEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510202117 918752146 /nfs/dbraw/zinc/75/21/46/918752146.db2.gz XUXZCRISCKJBIL-UHFFFAOYSA-N 1 2 419.916 4.248 20 30 HIEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510202117 918752154 /nfs/dbraw/zinc/75/21/54/918752154.db2.gz XUXZCRISCKJBIL-UHFFFAOYSA-N 1 2 419.916 4.248 20 30 HIEDLO N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000511144470 919763259 /nfs/dbraw/zinc/76/32/59/919763259.db2.gz HRZWWVGJFGPQCU-LJQANCHMSA-N 1 2 400.507 4.113 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000511206983 919819524 /nfs/dbraw/zinc/81/95/24/919819524.db2.gz QIPJFWYPAQSORS-UHFFFAOYSA-N 1 2 406.461 4.025 20 30 HIEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000516449365 923738344 /nfs/dbraw/zinc/73/83/44/923738344.db2.gz LEYJVDQTMFQKEG-UHFFFAOYSA-N 1 2 414.509 4.040 20 30 HIEDLO N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)c2)cc1 ZINC000518585987 927364361 /nfs/dbraw/zinc/36/43/61/927364361.db2.gz YQWUZMGVWGJYDO-UHFFFAOYSA-N 1 2 409.449 4.029 20 30 HIEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000519747621 928066481 /nfs/dbraw/zinc/06/64/81/928066481.db2.gz HXLDWWMDRIHKBC-INIZCTEOSA-N 1 2 422.558 4.264 20 30 HIEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000519747621 928066497 /nfs/dbraw/zinc/06/64/97/928066497.db2.gz HXLDWWMDRIHKBC-INIZCTEOSA-N 1 2 422.558 4.264 20 30 HIEDLO C=CC[N@@H+](Cc1nc(-c2ccc(CC)cc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520194916 928382019 /nfs/dbraw/zinc/38/20/19/928382019.db2.gz LEHAIHMUSOBUQO-KRWDZBQOSA-N 1 2 415.501 4.024 20 30 HIEDLO C=CC[N@H+](Cc1nc(-c2ccc(CC)cc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520194916 928382025 /nfs/dbraw/zinc/38/20/25/928382025.db2.gz LEHAIHMUSOBUQO-KRWDZBQOSA-N 1 2 415.501 4.024 20 30 HIEDLO N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)cc2)nc1 ZINC000521092298 928987648 /nfs/dbraw/zinc/98/76/48/928987648.db2.gz RJYUZZIIFWXCGL-UHFFFAOYSA-N 1 2 413.412 4.000 20 30 HIEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000532032942 931292414 /nfs/dbraw/zinc/29/24/14/931292414.db2.gz KISKXBWZVIVWKK-HXUWFJFHSA-N 1 2 418.310 4.029 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccco2)c1C#N ZINC000532486100 931457427 /nfs/dbraw/zinc/45/74/27/931457427.db2.gz GROUYQKAOJSUOV-QGZVFWFLSA-N 1 2 408.477 4.389 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccco2)c1C#N ZINC000532486100 931457430 /nfs/dbraw/zinc/45/74/30/931457430.db2.gz GROUYQKAOJSUOV-QGZVFWFLSA-N 1 2 408.477 4.389 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000532523774 931474395 /nfs/dbraw/zinc/47/43/95/931474395.db2.gz LCEZIVMVVZDHTA-QGZVFWFLSA-N 1 2 401.576 4.300 20 30 HIEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cc(Cl)cc(Cl)c1 ZINC000532919525 931694326 /nfs/dbraw/zinc/69/43/26/931694326.db2.gz IYFQJFQGBGZMMC-UHFFFAOYSA-N 1 2 414.296 4.121 20 30 HIEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cc(Cl)cc(Cl)c1 ZINC000532919525 931694337 /nfs/dbraw/zinc/69/43/37/931694337.db2.gz IYFQJFQGBGZMMC-UHFFFAOYSA-N 1 2 414.296 4.121 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C)c1C#N ZINC000533335502 931841027 /nfs/dbraw/zinc/84/10/27/931841027.db2.gz QTPMKWIGFRDBSD-GOSISDBHSA-N 1 2 402.498 4.176 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C)c1C#N ZINC000533335502 931841030 /nfs/dbraw/zinc/84/10/30/931841030.db2.gz QTPMKWIGFRDBSD-GOSISDBHSA-N 1 2 402.498 4.176 20 30 HIEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533838236 932053088 /nfs/dbraw/zinc/05/30/88/932053088.db2.gz JVYUANGZEZSSNX-UHFFFAOYSA-N 1 2 418.541 4.135 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000534218981 932338745 /nfs/dbraw/zinc/33/87/45/932338745.db2.gz BSOPRRWYWCKDJW-KRWDZBQOSA-N 1 2 405.477 4.131 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000534218981 932338750 /nfs/dbraw/zinc/33/87/50/932338750.db2.gz BSOPRRWYWCKDJW-KRWDZBQOSA-N 1 2 405.477 4.131 20 30 HIEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(Oc3cccc(F)c3C#N)c2c1C ZINC000534387187 932412552 /nfs/dbraw/zinc/41/25/52/932412552.db2.gz CCTRIZODIAOGJC-UHFFFAOYSA-N 1 2 414.462 4.041 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(CC#N)cc1 ZINC000535349761 933087233 /nfs/dbraw/zinc/08/72/33/933087233.db2.gz LFCYWGWOSMTPCC-UHFFFAOYSA-N 1 2 402.498 4.081 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536017460 933575082 /nfs/dbraw/zinc/57/50/82/933575082.db2.gz IPRUEQFJBYMDMJ-INIZCTEOSA-N 1 2 400.573 4.492 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538023061 938467966 /nfs/dbraw/zinc/46/79/66/938467966.db2.gz QAGPBUCPZMQBCG-OREJSRFESA-N 1 2 415.896 4.070 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538023061 938467972 /nfs/dbraw/zinc/46/79/72/938467972.db2.gz QAGPBUCPZMQBCG-OREJSRFESA-N 1 2 415.896 4.070 20 30 HIEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000538539026 938644363 /nfs/dbraw/zinc/64/43/63/938644363.db2.gz FHPLNSCFMXNTMB-DVECYGJZSA-N 1 2 416.569 4.318 20 30 HIEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000538539026 938644364 /nfs/dbraw/zinc/64/43/64/938644364.db2.gz FHPLNSCFMXNTMB-DVECYGJZSA-N 1 2 416.569 4.318 20 30 HIEDLO C=CCc1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cc(OC)c1O ZINC000538727200 938693192 /nfs/dbraw/zinc/69/31/92/938693192.db2.gz AFYCFCOQEUQHDY-HXUWFJFHSA-N 1 2 410.514 4.049 20 30 HIEDLO C=CCc1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cc(OC)c1O ZINC000538727200 938693195 /nfs/dbraw/zinc/69/31/95/938693195.db2.gz AFYCFCOQEUQHDY-HXUWFJFHSA-N 1 2 410.514 4.049 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000538736563 938697068 /nfs/dbraw/zinc/69/70/68/938697068.db2.gz NZTZBSZOZBRNMD-VWLOTQADSA-N 1 2 400.478 4.416 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000538736563 938697074 /nfs/dbraw/zinc/69/70/74/938697074.db2.gz NZTZBSZOZBRNMD-VWLOTQADSA-N 1 2 400.478 4.416 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128400 938807549 /nfs/dbraw/zinc/80/75/49/938807549.db2.gz SLIOFAHAGPMGQU-HKUYNNGSSA-N 1 2 407.823 4.194 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128400 938807550 /nfs/dbraw/zinc/80/75/50/938807550.db2.gz SLIOFAHAGPMGQU-HKUYNNGSSA-N 1 2 407.823 4.194 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128402 938807711 /nfs/dbraw/zinc/80/77/11/938807711.db2.gz SLIOFAHAGPMGQU-MJGOQNOKSA-N 1 2 407.823 4.194 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128402 938807712 /nfs/dbraw/zinc/80/77/12/938807712.db2.gz SLIOFAHAGPMGQU-MJGOQNOKSA-N 1 2 407.823 4.194 20 30 HIEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OCc2cccnc2)cc1 ZINC000539227505 938822103 /nfs/dbraw/zinc/82/21/03/938822103.db2.gz QAJXSCPWXONYCE-KRWDZBQOSA-N 1 2 411.465 4.433 20 30 HIEDLO COc1ccc(-c2csc(NC(=O)C[N@H+](Cc3ccc(C#N)cc3)C3CC3)n2)cc1 ZINC000542245990 939771658 /nfs/dbraw/zinc/77/16/58/939771658.db2.gz ASAJGTMMAAUGDM-UHFFFAOYSA-N 1 2 418.522 4.293 20 30 HIEDLO COc1ccc(-c2csc(NC(=O)C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)n2)cc1 ZINC000542245990 939771659 /nfs/dbraw/zinc/77/16/59/939771659.db2.gz ASAJGTMMAAUGDM-UHFFFAOYSA-N 1 2 418.522 4.293 20 30 HIEDLO COc1cc(C[NH2+][C@H](CO)c2c(F)cccc2F)ccc1OCc1cccc(C#N)c1 ZINC000542886461 939865257 /nfs/dbraw/zinc/86/52/57/939865257.db2.gz DGQVHGYIUJTMMA-OAQYLSRUSA-N 1 2 424.447 4.247 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@@H]2/C=C/c2cccs2)c1 ZINC000543062315 939915472 /nfs/dbraw/zinc/91/54/72/939915472.db2.gz CJMRFCRZXSAMAD-GNISGLHKSA-N 1 2 400.569 4.351 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCCC[C@@H]2/C=C/c2cccs2)c1 ZINC000543062315 939915481 /nfs/dbraw/zinc/91/54/81/939915481.db2.gz CJMRFCRZXSAMAD-GNISGLHKSA-N 1 2 400.569 4.351 20 30 HIEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2c(F)cc(F)cc2Br)C2CC2)cc1 ZINC000543249871 940008227 /nfs/dbraw/zinc/00/82/27/940008227.db2.gz WUKPHQZEAPJJCX-UHFFFAOYSA-N 1 2 420.257 4.202 20 30 HIEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2c(F)cc(F)cc2Br)C2CC2)cc1 ZINC000543249871 940008230 /nfs/dbraw/zinc/00/82/30/940008230.db2.gz WUKPHQZEAPJJCX-UHFFFAOYSA-N 1 2 420.257 4.202 20 30 HIEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(C)c1 ZINC000543336080 940035035 /nfs/dbraw/zinc/03/50/35/940035035.db2.gz PINVCQHZWXRGHC-DEOSSOPVSA-N 1 2 413.525 4.487 20 30 HIEDLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000543486845 940080050 /nfs/dbraw/zinc/08/00/50/940080050.db2.gz YKEPPNHZENZVRQ-PBHICJAKSA-N 1 2 401.532 4.032 20 30 HIEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(c3noc(C4CCCC4)n3)CCCCCC2)cc1 ZINC000543553905 940106957 /nfs/dbraw/zinc/10/69/57/940106957.db2.gz YDAGPBXGNLGLTA-FQEVSTJZSA-N 1 2 424.545 4.178 20 30 HIEDLO C=CCOc1ccccc1C[NH2+]Cc1ncc(Br)cc1Br ZINC000544403922 940413527 /nfs/dbraw/zinc/41/35/27/940413527.db2.gz AQBKDKABZYAXBJ-UHFFFAOYSA-N 1 2 412.125 4.461 20 30 HIEDLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2)ccc1F ZINC000544517346 940469239 /nfs/dbraw/zinc/46/92/39/940469239.db2.gz DAZLOWDWVJMVGS-SJORKVTESA-N 1 2 421.476 4.170 20 30 HIEDLO C=CCOc1ccc(/C=C/c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cc1OC ZINC000544632752 940494964 /nfs/dbraw/zinc/49/49/64/940494964.db2.gz AYOMXIHKIYZICS-CSKARUKUSA-N 1 2 402.454 4.360 20 30 HIEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000550078604 941281295 /nfs/dbraw/zinc/28/12/95/941281295.db2.gz CSCGGESZMYFUDP-AZUAARDMSA-N 1 2 417.347 4.149 20 30 HIEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000550078604 941281302 /nfs/dbraw/zinc/28/13/02/941281302.db2.gz CSCGGESZMYFUDP-AZUAARDMSA-N 1 2 417.347 4.149 20 30 HIEDLO Cc1cn2cc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)ccc2[nH+]1 ZINC000553238210 941854903 /nfs/dbraw/zinc/85/49/03/941854903.db2.gz ULZAPDGZJZUREN-UHFFFAOYSA-N 1 2 407.905 4.413 20 30 HIEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)c[nH]1 ZINC000553835923 941980266 /nfs/dbraw/zinc/98/02/66/941980266.db2.gz BUANLEXECOQKKK-UHFFFAOYSA-N 1 2 410.930 4.226 20 30 HIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1ccc(OC)cc1 ZINC000555877141 942763267 /nfs/dbraw/zinc/76/32/67/942763267.db2.gz SIXQUFKGMLJIRL-MRXNPFEDSA-N 1 2 417.347 4.323 20 30 HIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1ccc(OC)cc1 ZINC000555877141 942763280 /nfs/dbraw/zinc/76/32/80/942763280.db2.gz SIXQUFKGMLJIRL-MRXNPFEDSA-N 1 2 417.347 4.323 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556942393 942975953 /nfs/dbraw/zinc/97/59/53/942975953.db2.gz VJNDIOZEXHFWRA-VQTJNVASSA-N 1 2 417.887 4.329 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556942393 942975956 /nfs/dbraw/zinc/97/59/56/942975956.db2.gz VJNDIOZEXHFWRA-VQTJNVASSA-N 1 2 417.887 4.329 20 30 HIEDLO N#Cc1cc(Br)ccc1C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000558116347 943384184 /nfs/dbraw/zinc/38/41/84/943384184.db2.gz XOLWKAJDXPYFNZ-FQEVSTJZSA-N 1 2 408.299 4.014 20 30 HIEDLO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000559024710 943808380 /nfs/dbraw/zinc/80/83/80/943808380.db2.gz UHIPBOPQVYBSSM-OAQYLSRUSA-N 1 2 402.546 4.118 20 30 HIEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000559235579 943882696 /nfs/dbraw/zinc/88/26/96/943882696.db2.gz XZGWRXGYQHSNLW-FQEVSTJZSA-N 1 2 422.330 4.453 20 30 HIEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000559235579 943882697 /nfs/dbraw/zinc/88/26/97/943882697.db2.gz XZGWRXGYQHSNLW-FQEVSTJZSA-N 1 2 422.330 4.453 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000568147865 946482729 /nfs/dbraw/zinc/48/27/29/946482729.db2.gz ZCZJKCMSUPVBDG-WBVHZDCISA-N 1 2 420.328 4.437 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000568147865 946482734 /nfs/dbraw/zinc/48/27/34/946482734.db2.gz ZCZJKCMSUPVBDG-WBVHZDCISA-N 1 2 420.328 4.437 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000571245347 947565724 /nfs/dbraw/zinc/56/57/24/947565724.db2.gz UTMMWHAEQPSSNC-RHSMWYFYSA-N 1 2 409.408 4.246 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000571245347 947565734 /nfs/dbraw/zinc/56/57/34/947565734.db2.gz UTMMWHAEQPSSNC-RHSMWYFYSA-N 1 2 409.408 4.246 20 30 HIEDLO Cc1csc(Nc2ccc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)n1 ZINC000571450154 947653146 /nfs/dbraw/zinc/65/31/46/947653146.db2.gz MJKVBCQMQMBFHG-UHFFFAOYSA-N 1 2 417.538 4.025 20 30 HIEDLO N#CC1(c2ccccn2)CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000571622374 947732668 /nfs/dbraw/zinc/73/26/68/947732668.db2.gz FGXWQKIWIGNBEL-UHFFFAOYSA-N 1 2 424.508 4.086 20 30 HIEDLO CSc1nc(C2CC2)cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1C#N ZINC000574405127 948432693 /nfs/dbraw/zinc/43/26/93/948432693.db2.gz ZVBDRHDVDVSCQM-UHFFFAOYSA-N 1 2 409.559 4.082 20 30 HIEDLO CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CC=C(c3ccc(C#N)cc3)CC1)n2CC ZINC000575781947 948705961 /nfs/dbraw/zinc/70/59/61/948705961.db2.gz QZIWPZKOVOLPFY-UHFFFAOYSA-N 1 2 414.509 4.394 20 30 HIEDLO CCOC(=O)c1ccc2c(c1)nc(C[N@@H+]1CC=C(c3ccc(C#N)cc3)CC1)n2CC ZINC000575781947 948705970 /nfs/dbraw/zinc/70/59/70/948705970.db2.gz QZIWPZKOVOLPFY-UHFFFAOYSA-N 1 2 414.509 4.394 20 30 HIEDLO Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000328603512 569417003 /nfs/dbraw/zinc/41/70/03/569417003.db2.gz GHMRFQNDTZDCLP-UNMCSNQZSA-N 1 2 419.529 4.184 20 30 HIEDLO CCCCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nnc1[C@H](CC)[NH+](C)C ZINC000004494697 845058953 /nfs/dbraw/zinc/05/89/53/845058953.db2.gz PRWGIACALJUTQZ-QAPCUYQASA-N 1 2 414.579 4.082 20 30 HIEDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000014923531 845993457 /nfs/dbraw/zinc/99/34/57/845993457.db2.gz GQRXDEXJVYPSAY-UHFFFAOYSA-N 1 2 416.525 4.104 20 30 HIEDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000014923531 845993465 /nfs/dbraw/zinc/99/34/65/845993465.db2.gz GQRXDEXJVYPSAY-UHFFFAOYSA-N 1 2 416.525 4.104 20 30 HIEDLO COc1ccc2cc(/C=C/C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2c1 ZINC000015021482 846000752 /nfs/dbraw/zinc/00/07/52/846000752.db2.gz AKOHWUZQAJVALO-YRNVUSSQSA-N 1 2 411.505 4.078 20 30 HIEDLO CC(C)c1ccc(-c2noc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000023257991 846677285 /nfs/dbraw/zinc/67/72/85/846677285.db2.gz TXKGIZZCKQPJQH-UHFFFAOYSA-N 1 2 401.514 4.049 20 30 HIEDLO N#Cc1ccc(F)c(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c1 ZINC000025747570 847030268 /nfs/dbraw/zinc/03/02/68/847030268.db2.gz HLJHPCLZZJBNSS-UHFFFAOYSA-N 1 2 407.518 4.225 20 30 HIEDLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327308 847126726 /nfs/dbraw/zinc/12/67/26/847126726.db2.gz DZDGEHYIJGOPNQ-ZDUSSCGKSA-N 1 2 412.465 4.419 20 30 HIEDLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327308 847126731 /nfs/dbraw/zinc/12/67/31/847126731.db2.gz DZDGEHYIJGOPNQ-ZDUSSCGKSA-N 1 2 412.465 4.419 20 30 HIEDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000029931334 847653998 /nfs/dbraw/zinc/65/39/98/847653998.db2.gz MNPMKESDHDLZHA-UHFFFAOYSA-N 1 2 412.490 4.029 20 30 HIEDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000029931334 847654001 /nfs/dbraw/zinc/65/40/01/847654001.db2.gz MNPMKESDHDLZHA-UHFFFAOYSA-N 1 2 412.490 4.029 20 30 HIEDLO N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)s2)cc1 ZINC000045764322 848724432 /nfs/dbraw/zinc/72/44/32/848724432.db2.gz MKJTYBJRTRZKIS-UHFFFAOYSA-N 1 2 418.507 4.140 20 30 HIEDLO CC(C)c1ccc([C@@H](CNC(=O)CSCC#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000047000187 848970707 /nfs/dbraw/zinc/97/07/07/848970707.db2.gz RQMSLADBWOBBDP-HXUWFJFHSA-N 1 2 413.612 4.344 20 30 HIEDLO CC(C)c1ccc([C@@H](CNC(=O)CSCC#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000047000187 848970717 /nfs/dbraw/zinc/97/07/17/848970717.db2.gz RQMSLADBWOBBDP-HXUWFJFHSA-N 1 2 413.612 4.344 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@H](c3ccc(Cl)cc3)C1)CCC2 ZINC000053370528 849699939 /nfs/dbraw/zinc/69/99/39/849699939.db2.gz VPZLGGCOUVCLAW-GOSISDBHSA-N 1 2 415.946 4.164 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H](c3ccc(Cl)cc3)C1)CCC2 ZINC000053370528 849699942 /nfs/dbraw/zinc/69/99/42/849699942.db2.gz VPZLGGCOUVCLAW-GOSISDBHSA-N 1 2 415.946 4.164 20 30 HIEDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)cc1 ZINC000054317742 849847858 /nfs/dbraw/zinc/84/78/58/849847858.db2.gz ZSMUMTCBSSZVHQ-UHFFFAOYSA-N 1 2 417.553 4.453 20 30 HIEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056758294 850469669 /nfs/dbraw/zinc/46/96/69/850469669.db2.gz LBZHHWZIOPBJIC-UHFFFAOYSA-N 1 2 415.497 4.008 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](CC(F)(F)F)c3ccccc3)CC2)cc1 ZINC000057129550 850556830 /nfs/dbraw/zinc/55/68/30/850556830.db2.gz BQLMARSEYCAGLX-FQEVSTJZSA-N 1 2 416.447 4.079 20 30 HIEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000063751066 851754645 /nfs/dbraw/zinc/75/46/45/851754645.db2.gz ZXGJWADERNFBDN-UHFFFAOYSA-N 1 2 421.360 4.005 20 30 HIEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000063751066 851754647 /nfs/dbraw/zinc/75/46/47/851754647.db2.gz ZXGJWADERNFBDN-UHFFFAOYSA-N 1 2 421.360 4.005 20 30 HIEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1=S ZINC000097507008 852621378 /nfs/dbraw/zinc/62/13/78/852621378.db2.gz CBFHVHDWJMSAJZ-HXUWFJFHSA-N 1 2 409.534 4.466 20 30 HIEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1=S ZINC000097507008 852621382 /nfs/dbraw/zinc/62/13/82/852621382.db2.gz CBFHVHDWJMSAJZ-HXUWFJFHSA-N 1 2 409.534 4.466 20 30 HIEDLO N#CCc1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)cc1 ZINC000098080747 852656228 /nfs/dbraw/zinc/65/62/28/852656228.db2.gz PIJCWELPAJXZJW-NRFANRHFSA-N 1 2 412.493 4.154 20 30 HIEDLO C=CCOc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000108635620 852867329 /nfs/dbraw/zinc/86/73/29/852867329.db2.gz KBLYMRFKWKEGNX-HDICACEKSA-N 1 2 410.514 4.122 20 30 HIEDLO C=CCOc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000108635620 852867335 /nfs/dbraw/zinc/86/73/35/852867335.db2.gz KBLYMRFKWKEGNX-HDICACEKSA-N 1 2 410.514 4.122 20 30 HIEDLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000113177040 853240029 /nfs/dbraw/zinc/24/00/29/853240029.db2.gz QAKPMYGSNZLZGF-OAHLLOKOSA-N 1 2 417.340 4.404 20 30 HIEDLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000113177040 853240042 /nfs/dbraw/zinc/24/00/42/853240042.db2.gz QAKPMYGSNZLZGF-OAHLLOKOSA-N 1 2 417.340 4.404 20 30 HIEDLO N#Cc1cccc(OCCCCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000217120158 853860545 /nfs/dbraw/zinc/86/05/45/853860545.db2.gz FVDXTCRHCIXXFK-UHFFFAOYSA-N 1 2 406.530 4.199 20 30 HIEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000227144667 853883593 /nfs/dbraw/zinc/88/35/93/853883593.db2.gz HAIXQUZHQKHFDX-UZLBHIALSA-N 1 2 412.559 4.289 20 30 HIEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000227144667 853883595 /nfs/dbraw/zinc/88/35/95/853883595.db2.gz HAIXQUZHQKHFDX-UZLBHIALSA-N 1 2 412.559 4.289 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000248234766 854185897 /nfs/dbraw/zinc/18/58/97/854185897.db2.gz MCJHFZHELQGAOI-HSZRJFAPSA-N 1 2 414.571 4.137 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000248234766 854185900 /nfs/dbraw/zinc/18/59/00/854185900.db2.gz MCJHFZHELQGAOI-HSZRJFAPSA-N 1 2 414.571 4.137 20 30 HIEDLO Cc1cccn2cc(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[nH+]c12 ZINC000261385966 854242949 /nfs/dbraw/zinc/24/29/49/854242949.db2.gz JXEWVKRNZNQOHB-UHFFFAOYSA-N 1 2 410.477 4.469 20 30 HIEDLO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCN(c4cc(C#N)nc5ccccc54)CC3)n2)cc1 ZINC000301374914 854374797 /nfs/dbraw/zinc/37/47/97/854374797.db2.gz WZMKCFQDDGHPMF-GOSISDBHSA-N 1 2 424.508 4.348 20 30 HIEDLO CC(C)c1cc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000301868032 854480765 /nfs/dbraw/zinc/48/07/65/854480765.db2.gz IMHNBLUQWGTTQZ-UHFFFAOYSA-N 1 2 406.490 4.170 20 30 HIEDLO Cc1cc(N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000302207637 854550013 /nfs/dbraw/zinc/55/00/13/854550013.db2.gz XHGZAXGSHXPKQF-SFHVURJKSA-N 1 2 414.351 4.058 20 30 HIEDLO O=C(c1cccc(F)c1)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426411706 856278878 /nfs/dbraw/zinc/27/88/78/856278878.db2.gz QQLSCXXCJLUQKM-UHFFFAOYSA-N 1 2 404.407 4.044 20 30 HIEDLO O=C(c1cccc(F)c1)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426411706 856278893 /nfs/dbraw/zinc/27/88/93/856278893.db2.gz QQLSCXXCJLUQKM-UHFFFAOYSA-N 1 2 404.407 4.044 20 30 HIEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)o1 ZINC000428113720 857076864 /nfs/dbraw/zinc/07/68/64/857076864.db2.gz CFGZGXODPBWDPO-UHFFFAOYSA-N 1 2 411.914 4.491 20 30 HIEDLO C[N@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1cccc(F)c1C#N ZINC000428232146 857120860 /nfs/dbraw/zinc/12/08/60/857120860.db2.gz MIBNOHXRWFAJTN-UHFFFAOYSA-N 1 2 409.486 4.130 20 30 HIEDLO C[N@@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1cccc(F)c1C#N ZINC000428232146 857120876 /nfs/dbraw/zinc/12/08/76/857120876.db2.gz MIBNOHXRWFAJTN-UHFFFAOYSA-N 1 2 409.486 4.130 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429218338 857559812 /nfs/dbraw/zinc/55/98/12/857559812.db2.gz CUTJSSMBZCNRPG-INIZCTEOSA-N 1 2 414.912 4.389 20 30 HIEDLO C[C@@H](NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000430189342 858073319 /nfs/dbraw/zinc/07/33/19/858073319.db2.gz DDBKAOIWIBJYHA-QGZVFWFLSA-N 1 2 407.905 4.381 20 30 HIEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)ccc1Br ZINC000430239618 858092913 /nfs/dbraw/zinc/09/29/13/858092913.db2.gz KWBJHYIJDQIFKQ-HXUWFJFHSA-N 1 2 412.331 4.083 20 30 HIEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)ccc1Br ZINC000430239618 858092920 /nfs/dbraw/zinc/09/29/20/858092920.db2.gz KWBJHYIJDQIFKQ-HXUWFJFHSA-N 1 2 412.331 4.083 20 30 HIEDLO Cc1ccc(-c2cccnc2)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000432808907 859370086 /nfs/dbraw/zinc/37/00/86/859370086.db2.gz NBSVGVGIQJKCGJ-UHFFFAOYSA-N 1 2 411.509 4.278 20 30 HIEDLO N#CCCC[C@H]([NH2+]Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)c1ccccc1 ZINC000433012684 859477442 /nfs/dbraw/zinc/47/74/42/859477442.db2.gz UQVUREMUJAYUEH-SFHVURJKSA-N 1 2 409.490 4.454 20 30 HIEDLO N#CCCn1cc(C[NH2+][C@@H](c2nccs2)c2ccccc2)c(-c2ccncc2)n1 ZINC000433329482 859646978 /nfs/dbraw/zinc/64/69/78/859646978.db2.gz YIQCUGNDEDPCFK-OAQYLSRUSA-N 1 2 400.511 4.194 20 30 HIEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]CC#Cc2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000433471326 859718633 /nfs/dbraw/zinc/71/86/33/859718633.db2.gz NVBDSHHFWPXBJY-HSZRJFAPSA-N 1 2 411.473 4.099 20 30 HIEDLO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000434889696 860537570 /nfs/dbraw/zinc/53/75/70/860537570.db2.gz XHYLFFDDBKNLQI-XMMPIXPASA-N 1 2 420.534 4.158 20 30 HIEDLO CCOc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1OC(F)F ZINC000434981292 860584916 /nfs/dbraw/zinc/58/49/16/860584916.db2.gz JFPVKTRGZXAXJQ-IBGZPJMESA-N 1 2 401.457 4.069 20 30 HIEDLO N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2)cc1 ZINC000435091970 860638449 /nfs/dbraw/zinc/63/84/49/860638449.db2.gz PSFWTBOPMZVQSI-UHFFFAOYSA-N 1 2 415.497 4.466 20 30 HIEDLO N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2)cc1 ZINC000435091970 860638452 /nfs/dbraw/zinc/63/84/52/860638452.db2.gz PSFWTBOPMZVQSI-UHFFFAOYSA-N 1 2 415.497 4.466 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CCc3c(Br)cccc3C2)c(-c2ccncc2)n1 ZINC000435127071 860652851 /nfs/dbraw/zinc/65/28/51/860652851.db2.gz ULBSSWGXYSKFMY-UHFFFAOYSA-N 1 2 422.330 4.180 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CCc3c(Br)cccc3C2)c(-c2ccncc2)n1 ZINC000435127071 860652857 /nfs/dbraw/zinc/65/28/57/860652857.db2.gz ULBSSWGXYSKFMY-UHFFFAOYSA-N 1 2 422.330 4.180 20 30 HIEDLO COc1cc(OC)c2ncc(C#N)c(NCc3cc[nH+]c(N4CCCCC4)c3)c2c1 ZINC000439096664 864538397 /nfs/dbraw/zinc/53/83/97/864538397.db2.gz CWNSCYFDFASDCK-UHFFFAOYSA-N 1 2 403.486 4.121 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(F)(c3cccc(Cl)c3)CC2)C1=O ZINC000439312486 864745880 /nfs/dbraw/zinc/74/58/80/864745880.db2.gz CLRDUSBODIYWSX-QGZVFWFLSA-N 1 2 403.910 4.339 20 30 HIEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3cccc(Br)c3)CC2)c(C#N)c1C ZINC000439333729 864772389 /nfs/dbraw/zinc/77/23/89/864772389.db2.gz WKQDQJROKRDDPY-UHFFFAOYSA-N 1 2 416.319 4.349 20 30 HIEDLO CCCc1c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cnn1-c1cccc(C#N)c1 ZINC000440084585 865347597 /nfs/dbraw/zinc/34/75/97/865347597.db2.gz WWQBFVCAFCWQFB-UHFFFAOYSA-N 1 2 410.481 4.194 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441085087 866179035 /nfs/dbraw/zinc/17/90/35/866179035.db2.gz KUHCWFHJCRJZCV-GXTWGEPZSA-N 1 2 408.449 4.240 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441085087 866179051 /nfs/dbraw/zinc/17/90/51/866179051.db2.gz KUHCWFHJCRJZCV-GXTWGEPZSA-N 1 2 408.449 4.240 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000441094969 866190650 /nfs/dbraw/zinc/19/06/50/866190650.db2.gz QVJDGZSWXPXNPU-NZQKXSOJSA-N 1 2 420.557 4.346 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000441094969 866190675 /nfs/dbraw/zinc/19/06/75/866190675.db2.gz QVJDGZSWXPXNPU-NZQKXSOJSA-N 1 2 420.557 4.346 20 30 HIEDLO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2)c1 ZINC000446690843 870607660 /nfs/dbraw/zinc/60/76/60/870607660.db2.gz FOFPXFSTGLGHMJ-UHFFFAOYSA-N 1 2 423.432 4.113 20 30 HIEDLO C=CC[C@@H]1N(C(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCC1(C)C ZINC000447427980 871332859 /nfs/dbraw/zinc/33/28/59/871332859.db2.gz VHGGXWDDIUMBOG-NRFANRHFSA-N 1 2 418.541 4.134 20 30 HIEDLO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460776302 873628303 /nfs/dbraw/zinc/62/83/03/873628303.db2.gz IUHGDEQGGZZKBA-SIKLNZKXSA-N 1 2 424.593 4.090 20 30 HIEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000468781021 882857215 /nfs/dbraw/zinc/85/72/15/882857215.db2.gz BKMFBNPWGGXDBF-OAHLLOKOSA-N 1 2 401.532 4.201 20 30 HIEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000468781021 882857218 /nfs/dbraw/zinc/85/72/18/882857218.db2.gz BKMFBNPWGGXDBF-OAHLLOKOSA-N 1 2 401.532 4.201 20 30 HIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000462203315 875311986 /nfs/dbraw/zinc/31/19/86/875311986.db2.gz YRZNOMQPKONAGF-MRXNPFEDSA-N 1 2 421.488 4.207 20 30 HIEDLO C=CCc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc(OC)c1OC ZINC000463032053 876051449 /nfs/dbraw/zinc/05/14/49/876051449.db2.gz FETGUAJGBJSAAX-INIZCTEOSA-N 1 2 400.544 4.013 20 30 HIEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000464398914 877600192 /nfs/dbraw/zinc/60/01/92/877600192.db2.gz MWJRSUQRBFCWMZ-UHFFFAOYSA-N 1 2 401.466 4.428 20 30 HIEDLO N#Cc1ccc(C2=CCN(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)CC2)cc1 ZINC000503498783 912544510 /nfs/dbraw/zinc/54/45/10/912544510.db2.gz OORFQBGQQSOZKV-UHFFFAOYSA-N 1 2 413.481 4.155 20 30 HIEDLO N#CCCCOc1cccnc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000466607587 880378052 /nfs/dbraw/zinc/37/80/52/880378052.db2.gz DZYBCFLNJGOMGZ-PZJWPPBQSA-N 1 2 416.485 4.011 20 30 HIEDLO Cc1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H]2CCCO2)c(Br)c1 ZINC000467517657 881333040 /nfs/dbraw/zinc/33/30/40/881333040.db2.gz WZCDCCIGPUZCLG-LJQANCHMSA-N 1 2 402.336 4.149 20 30 HIEDLO Cc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H]2CCCO2)c(Br)c1 ZINC000467517657 881333056 /nfs/dbraw/zinc/33/30/56/881333056.db2.gz WZCDCCIGPUZCLG-LJQANCHMSA-N 1 2 402.336 4.149 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000469300167 883397594 /nfs/dbraw/zinc/39/75/94/883397594.db2.gz SZHBZASBFLKADQ-HNNXBMFYSA-N 1 2 403.592 4.495 20 30 HIEDLO N#CCCCn1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc21 ZINC000469372833 883499043 /nfs/dbraw/zinc/49/90/43/883499043.db2.gz GKLGLOSEUVBZRZ-UHFFFAOYSA-N 1 2 401.445 4.200 20 30 HIEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)c1cccc(Cl)c1 ZINC000470216168 884540241 /nfs/dbraw/zinc/54/02/41/884540241.db2.gz PFMCLABEYPBSQD-KRWDZBQOSA-N 1 2 415.946 4.386 20 30 HIEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)c1cccc(Cl)c1 ZINC000470216168 884540267 /nfs/dbraw/zinc/54/02/67/884540267.db2.gz PFMCLABEYPBSQD-KRWDZBQOSA-N 1 2 415.946 4.386 20 30 HIEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470224824 884551610 /nfs/dbraw/zinc/55/16/10/884551610.db2.gz ULTQJKJVHHTNNJ-HJWYETAXSA-N 1 2 417.962 4.017 20 30 HIEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470224824 884551625 /nfs/dbraw/zinc/55/16/25/884551625.db2.gz ULTQJKJVHHTNNJ-HJWYETAXSA-N 1 2 417.962 4.017 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000472305329 887129680 /nfs/dbraw/zinc/12/96/80/887129680.db2.gz KBJVHSGDNXBRIZ-IEBWSBKVSA-N 1 2 406.383 4.072 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000472305329 887129683 /nfs/dbraw/zinc/12/96/83/887129683.db2.gz KBJVHSGDNXBRIZ-IEBWSBKVSA-N 1 2 406.383 4.072 20 30 HIEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](c4cccs4)C3)sc2C1 ZINC000472824693 887670275 /nfs/dbraw/zinc/67/02/75/887670275.db2.gz CSJLBOMXIQMXEE-YOEHRIQHSA-N 1 2 415.584 4.208 20 30 HIEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@H](c4cccs4)C3)sc2C1 ZINC000472824693 887670287 /nfs/dbraw/zinc/67/02/87/887670287.db2.gz CSJLBOMXIQMXEE-YOEHRIQHSA-N 1 2 415.584 4.208 20 30 HIEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000473183132 887961670 /nfs/dbraw/zinc/96/16/70/887961670.db2.gz GTIRPOZRVWEHCH-ICSRJNTNSA-N 1 2 422.472 4.107 20 30 HIEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000473183132 887961672 /nfs/dbraw/zinc/96/16/72/887961672.db2.gz GTIRPOZRVWEHCH-ICSRJNTNSA-N 1 2 422.472 4.107 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474153881 888985982 /nfs/dbraw/zinc/98/59/82/888985982.db2.gz MLGHWKAMOBGLNB-SFTDATJTSA-N 1 2 411.908 4.334 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474153881 888985996 /nfs/dbraw/zinc/98/59/96/888985996.db2.gz MLGHWKAMOBGLNB-SFTDATJTSA-N 1 2 411.908 4.334 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C2 ZINC000474899415 889758504 /nfs/dbraw/zinc/75/85/04/889758504.db2.gz MSQKSPDXGQDDES-GFCCVEGCSA-N 1 2 406.408 4.089 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)CC2 ZINC000474899415 889758513 /nfs/dbraw/zinc/75/85/13/889758513.db2.gz MSQKSPDXGQDDES-GFCCVEGCSA-N 1 2 406.408 4.089 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000476656527 891601617 /nfs/dbraw/zinc/60/16/17/891601617.db2.gz HVCFKSVPVNAHDC-ITSWEJNFSA-N 1 2 415.459 4.443 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000476656527 891601632 /nfs/dbraw/zinc/60/16/32/891601632.db2.gz HVCFKSVPVNAHDC-ITSWEJNFSA-N 1 2 415.459 4.443 20 30 HIEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000476993911 891920232 /nfs/dbraw/zinc/92/02/32/891920232.db2.gz JWCLDEVUFAOITF-UHFFFAOYSA-N 1 2 405.329 4.129 20 30 HIEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000479076184 894341674 /nfs/dbraw/zinc/34/16/74/894341674.db2.gz CHXOQIKZUIQMGI-UHFFFAOYSA-N 1 2 418.497 4.297 20 30 HIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479770477 895072281 /nfs/dbraw/zinc/07/22/81/895072281.db2.gz DYMWEIDTLKVFHB-VXKWHMMOSA-N 1 2 412.484 4.203 20 30 HIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479770477 895072291 /nfs/dbraw/zinc/07/22/91/895072291.db2.gz DYMWEIDTLKVFHB-VXKWHMMOSA-N 1 2 412.484 4.203 20 30 HIEDLO Cc1ccc2c(ncc(C#N)c2N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1Br ZINC000480092153 895454895 /nfs/dbraw/zinc/45/48/95/895454895.db2.gz LLBYZYJNJHVCOP-GUYCJALGSA-N 1 2 410.319 4.461 20 30 HIEDLO C=C(C)Cn1c(SCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nnc1-c1ccco1 ZINC000480134224 895512490 /nfs/dbraw/zinc/51/24/90/895512490.db2.gz JSTCNQKCJMMGST-UHFFFAOYSA-N 1 2 420.498 4.031 20 30 HIEDLO C=CC[N@H+](Cc1ccc(C#N)cc1Br)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000481124393 896452250 /nfs/dbraw/zinc/45/22/50/896452250.db2.gz YOYBFMCHFPUBJF-OAHLLOKOSA-N 1 2 423.318 4.046 20 30 HIEDLO C=CC[N@@H+](Cc1ccc(C#N)cc1Br)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000481124393 896452268 /nfs/dbraw/zinc/45/22/68/896452268.db2.gz YOYBFMCHFPUBJF-OAHLLOKOSA-N 1 2 423.318 4.046 20 30 HIEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000505469758 914144891 /nfs/dbraw/zinc/14/48/91/914144891.db2.gz UNBLPINUUYTVOS-XMMPIXPASA-N 1 2 415.468 4.063 20 30 HIEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl ZINC000505511659 914201484 /nfs/dbraw/zinc/20/14/84/914201484.db2.gz GOLUGZFJORASHN-CQSZACIVSA-N 1 2 416.224 4.082 20 30 HIEDLO Cc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000482892229 898509212 /nfs/dbraw/zinc/50/92/12/898509212.db2.gz XYFWEPKXQDRBKB-UHFFFAOYSA-N 1 2 407.905 4.145 20 30 HIEDLO N#C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C[C@]12C(=O)Nc1ccccc12 ZINC000483249633 898891695 /nfs/dbraw/zinc/89/16/95/898891695.db2.gz XJLPDNPXOCTDEA-PSLXWICFSA-N 1 2 405.404 4.070 20 30 HIEDLO N#C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C[C@]12C(=O)Nc1ccccc12 ZINC000483249633 898891699 /nfs/dbraw/zinc/89/16/99/898891699.db2.gz XJLPDNPXOCTDEA-PSLXWICFSA-N 1 2 405.404 4.070 20 30 HIEDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cccc(OCc3cccc(C#N)c3)c2)cn1 ZINC000483417052 899046353 /nfs/dbraw/zinc/04/63/53/899046353.db2.gz YAMGGWKRTZLQAE-HSZRJFAPSA-N 1 2 404.539 4.161 20 30 HIEDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cccc(OCc3cccc(C#N)c3)c2)cn1 ZINC000483417052 899046374 /nfs/dbraw/zinc/04/63/74/899046374.db2.gz YAMGGWKRTZLQAE-HSZRJFAPSA-N 1 2 404.539 4.161 20 30 HIEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000505604944 914309268 /nfs/dbraw/zinc/30/92/68/914309268.db2.gz CRKFABJUSHCLHL-IBGZPJMESA-N 1 2 414.351 4.001 20 30 HIEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc1F ZINC000483976269 899619517 /nfs/dbraw/zinc/61/95/17/899619517.db2.gz ORJZSHHJQCDUMN-UHFFFAOYSA-N 1 2 403.457 4.385 20 30 HIEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc1F ZINC000483976269 899619528 /nfs/dbraw/zinc/61/95/28/899619528.db2.gz ORJZSHHJQCDUMN-UHFFFAOYSA-N 1 2 403.457 4.385 20 30 HIEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000484358175 899906249 /nfs/dbraw/zinc/90/62/49/899906249.db2.gz GMHJKVJHPGCIAR-MRXNPFEDSA-N 1 2 401.860 4.497 20 30 HIEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000484358175 899906261 /nfs/dbraw/zinc/90/62/61/899906261.db2.gz GMHJKVJHPGCIAR-MRXNPFEDSA-N 1 2 401.860 4.497 20 30 HIEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000488143313 902637720 /nfs/dbraw/zinc/63/77/20/902637720.db2.gz JYCJTUUMUOBZEK-UHFFFAOYSA-N 1 2 404.873 4.422 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1C ZINC000490042365 903738501 /nfs/dbraw/zinc/73/85/01/903738501.db2.gz IKKJGXTYJPOROC-CQSZACIVSA-N 1 2 410.465 4.376 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490264564 903862966 /nfs/dbraw/zinc/86/29/66/903862966.db2.gz SYPGCCFILVZWFT-FCHUYYIVSA-N 1 2 412.484 4.202 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490264564 903862967 /nfs/dbraw/zinc/86/29/67/903862967.db2.gz SYPGCCFILVZWFT-FCHUYYIVSA-N 1 2 412.484 4.202 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490264565 903863273 /nfs/dbraw/zinc/86/32/73/903863273.db2.gz SYPGCCFILVZWFT-FGZHOGPDSA-N 1 2 412.484 4.202 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490264565 903863276 /nfs/dbraw/zinc/86/32/76/903863276.db2.gz SYPGCCFILVZWFT-FGZHOGPDSA-N 1 2 412.484 4.202 20 30 HIEDLO N#Cc1ccc(Br)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000492655650 904883377 /nfs/dbraw/zinc/88/33/77/904883377.db2.gz PJNLUYPNHWAVBV-UHFFFAOYSA-N 1 2 416.275 4.272 20 30 HIEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(Br)c(F)c1 ZINC000494267415 905592630 /nfs/dbraw/zinc/59/26/30/905592630.db2.gz GTXXPHWGYLPMRQ-UHFFFAOYSA-N 1 2 422.323 4.274 20 30 HIEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(Br)c(F)c1 ZINC000494267415 905592650 /nfs/dbraw/zinc/59/26/50/905592650.db2.gz GTXXPHWGYLPMRQ-UHFFFAOYSA-N 1 2 422.323 4.274 20 30 HIEDLO C=CC[N@@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000494643019 905878613 /nfs/dbraw/zinc/87/86/13/905878613.db2.gz MEXWYKZNMVXDJW-KRWDZBQOSA-N 1 2 404.264 4.155 20 30 HIEDLO C=CC[N@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000494643019 905878623 /nfs/dbraw/zinc/87/86/23/905878623.db2.gz MEXWYKZNMVXDJW-KRWDZBQOSA-N 1 2 404.264 4.155 20 30 HIEDLO Cc1csc(C2([NH2+]CC(=O)Nc3ccccc3S[C@H](C)CC#N)CCC2)n1 ZINC000494808748 906009248 /nfs/dbraw/zinc/00/92/48/906009248.db2.gz LASAQLLWSIJCAQ-OAHLLOKOSA-N 1 2 400.573 4.453 20 30 HIEDLO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512800814 921314087 /nfs/dbraw/zinc/31/40/87/921314087.db2.gz HUWHBBUXVKKIJA-UHFFFAOYSA-N 1 2 401.869 4.141 20 30 HIEDLO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512801041 921314107 /nfs/dbraw/zinc/31/41/07/921314107.db2.gz IWARUWWSZIMYPG-OAHLLOKOSA-N 1 2 413.518 4.290 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccn(-c4ccc(F)cc4F)n3)CC2)c(F)c1 ZINC000512823988 921328488 /nfs/dbraw/zinc/32/84/88/921328488.db2.gz OBSWLALKNVUFMR-UHFFFAOYSA-N 1 2 412.415 4.205 20 30 HIEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512832814 921336104 /nfs/dbraw/zinc/33/61/04/921336104.db2.gz JWFRZRQMXFPGBJ-LJQANCHMSA-N 1 2 414.481 4.035 20 30 HIEDLO CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512837858 921340856 /nfs/dbraw/zinc/34/08/56/921340856.db2.gz ALIDFLPNHRBXEM-UHFFFAOYSA-N 1 2 409.505 4.477 20 30 HIEDLO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512838442 921341192 /nfs/dbraw/zinc/34/11/92/921341192.db2.gz CSHFMDQILVKVAR-UHFFFAOYSA-N 1 2 409.505 4.304 20 30 HIEDLO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512842979 921345020 /nfs/dbraw/zinc/34/50/20/921345020.db2.gz DMWIGXZWGLDTQD-HNNXBMFYSA-N 1 2 413.518 4.290 20 30 HIEDLO C=CCOc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000499169220 908521379 /nfs/dbraw/zinc/52/13/79/908521379.db2.gz MBVGWBBDINZANG-SFTDATJTSA-N 1 2 415.921 4.098 20 30 HIEDLO C=CCOc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000499169220 908521391 /nfs/dbraw/zinc/52/13/91/908521391.db2.gz MBVGWBBDINZANG-SFTDATJTSA-N 1 2 415.921 4.098 20 30 HIEDLO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C#N ZINC000500044759 909505977 /nfs/dbraw/zinc/50/59/77/909505977.db2.gz HGHUNDIGNCKRLQ-INIZCTEOSA-N 1 2 421.570 4.105 20 30 HIEDLO COc1cccc(C2(F)CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)c1 ZINC000500171479 909658795 /nfs/dbraw/zinc/65/87/95/909658795.db2.gz OSROFFNNUZCBNR-UHFFFAOYSA-N 1 2 401.869 4.120 20 30 HIEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2sccc2Br)CC1 ZINC000500596820 909954891 /nfs/dbraw/zinc/95/48/91/909954891.db2.gz FIVFLQCEEFLNRU-UHFFFAOYSA-N 1 2 413.344 4.253 20 30 HIEDLO Cc1nc(CN2CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)oc1C ZINC000513382729 921755038 /nfs/dbraw/zinc/75/50/38/921755038.db2.gz YWJFKRCZKXHQFA-UHFFFAOYSA-N 1 2 416.525 4.060 20 30 HIEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000513420541 921788448 /nfs/dbraw/zinc/78/84/48/921788448.db2.gz PKNDPXHTSMTKTH-LJQANCHMSA-N 1 2 417.509 4.290 20 30 HIEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000513420541 921788463 /nfs/dbraw/zinc/78/84/63/921788463.db2.gz PKNDPXHTSMTKTH-LJQANCHMSA-N 1 2 417.509 4.290 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)N(Cc3ccco3)c3ccccc3)CC2)cc1 ZINC000507805318 916591405 /nfs/dbraw/zinc/59/14/05/916591405.db2.gz UVASOEYRVAAUMJ-UHFFFAOYSA-N 1 2 415.493 4.228 20 30 HIEDLO C=CC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)Cc1cc(Br)ccc1F ZINC000507967123 916820224 /nfs/dbraw/zinc/82/02/24/916820224.db2.gz PAKAEWWOYWHFFV-UHFFFAOYSA-N 1 2 405.267 4.221 20 30 HIEDLO C=CC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)Cc1cc(Br)ccc1F ZINC000507967123 916820226 /nfs/dbraw/zinc/82/02/26/916820226.db2.gz PAKAEWWOYWHFFV-UHFFFAOYSA-N 1 2 405.267 4.221 20 30 HIEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)cc1 ZINC000510555285 918999739 /nfs/dbraw/zinc/99/97/39/918999739.db2.gz URNYQZROHJNHQA-UHFFFAOYSA-N 1 2 400.526 4.499 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000510847915 919335714 /nfs/dbraw/zinc/33/57/14/919335714.db2.gz FQZXSKMZCUUSCF-SFHVURJKSA-N 1 2 417.444 4.285 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000512228370 920979492 /nfs/dbraw/zinc/97/94/92/920979492.db2.gz NTFMUFWDJOGZSM-OAHLLOKOSA-N 1 2 421.335 4.248 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000512228370 920979506 /nfs/dbraw/zinc/97/95/06/920979506.db2.gz NTFMUFWDJOGZSM-OAHLLOKOSA-N 1 2 421.335 4.248 20 30 HIEDLO COc1sc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1Br ZINC000513724209 922044045 /nfs/dbraw/zinc/04/40/45/922044045.db2.gz DVJFNIXZEJGJEL-UHFFFAOYSA-N 1 2 407.333 4.434 20 30 HIEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1Cl ZINC000515816351 923370096 /nfs/dbraw/zinc/37/00/96/923370096.db2.gz VXKCOBIXYMRBQQ-ZHRRBRCNSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1Cl ZINC000515816351 923370113 /nfs/dbraw/zinc/37/01/13/923370113.db2.gz VXKCOBIXYMRBQQ-ZHRRBRCNSA-N 1 2 410.949 4.288 20 30 HIEDLO N#CCCN(C(=O)CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccccc1 ZINC000521310790 929120354 /nfs/dbraw/zinc/12/03/54/929120354.db2.gz QDWQNKHZTNEBHS-UHFFFAOYSA-N 1 2 421.888 4.191 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000525249130 930106564 /nfs/dbraw/zinc/10/65/64/930106564.db2.gz TVKGYBZSNAVWCL-JPYJTQIMSA-N 1 2 403.482 4.303 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000525346774 930185262 /nfs/dbraw/zinc/18/52/62/930185262.db2.gz RELNBMUUWWHDHD-UHFFFAOYSA-N 1 2 403.486 4.276 20 30 HIEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccc(F)cc2)c1 ZINC000525689182 930405373 /nfs/dbraw/zinc/40/53/73/930405373.db2.gz IEJMTCJFWPEGPS-JOCHJYFZSA-N 1 2 412.461 4.119 20 30 HIEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000531587473 931111025 /nfs/dbraw/zinc/11/10/25/931111025.db2.gz USFOOSPYXSBUEO-AUSIDOKSSA-N 1 2 421.541 4.029 20 30 HIEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000531587473 931111029 /nfs/dbraw/zinc/11/10/29/931111029.db2.gz USFOOSPYXSBUEO-AUSIDOKSSA-N 1 2 421.541 4.029 20 30 HIEDLO CC(C)(C)[C@H](NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1cccs1 ZINC000531646470 931138492 /nfs/dbraw/zinc/13/84/92/931138492.db2.gz VAKXANUBXHYKKC-JOCHJYFZSA-N 1 2 411.571 4.367 20 30 HIEDLO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)[C@@H](c3ccco3)C2)cc1 ZINC000532751582 931622451 /nfs/dbraw/zinc/62/24/51/931622451.db2.gz JEZWMPJQQDGLLT-HSZRJFAPSA-N 1 2 412.493 4.269 20 30 HIEDLO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccc(C#N)cc3)[C@@H](c3ccco3)C2)cc1 ZINC000532751582 931622455 /nfs/dbraw/zinc/62/24/55/931622455.db2.gz JEZWMPJQQDGLLT-HSZRJFAPSA-N 1 2 412.493 4.269 20 30 HIEDLO CC(C)CCOC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000533251737 931819803 /nfs/dbraw/zinc/81/98/03/931819803.db2.gz MYLKDOWFZRMYJX-SFHVURJKSA-N 1 2 403.592 4.404 20 30 HIEDLO C[N@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000533282574 931827546 /nfs/dbraw/zinc/82/75/46/931827546.db2.gz DFUBVFFFVHVIAQ-AWEZNQCLSA-N 1 2 422.373 4.490 20 30 HIEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000533282574 931827547 /nfs/dbraw/zinc/82/75/47/931827547.db2.gz DFUBVFFFVHVIAQ-AWEZNQCLSA-N 1 2 422.373 4.490 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1C#N ZINC000533346871 931844649 /nfs/dbraw/zinc/84/46/49/931844649.db2.gz BTCYLEHFQWHJSQ-JOCHJYFZSA-N 1 2 417.513 4.097 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1C#N ZINC000533346871 931844652 /nfs/dbraw/zinc/84/46/52/931844652.db2.gz BTCYLEHFQWHJSQ-JOCHJYFZSA-N 1 2 417.513 4.097 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534525150 932545770 /nfs/dbraw/zinc/54/57/70/932545770.db2.gz TZMVKNOCAPWYFF-MRXNPFEDSA-N 1 2 400.573 4.350 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(CC#N)cc2)cc1 ZINC000535350368 933087184 /nfs/dbraw/zinc/08/71/84/933087184.db2.gz OHZLKXCYOMINAU-UHFFFAOYSA-N 1 2 402.498 4.081 20 30 HIEDLO C=CCn1c(COc2ccccc2F)nnc1SCc1cc(OC)cc(C)[nH+]1 ZINC000536011401 933569056 /nfs/dbraw/zinc/56/90/56/933569056.db2.gz OQKZHTZNXUXQRQ-UHFFFAOYSA-N 1 2 400.479 4.187 20 30 HIEDLO N#Cc1ccc2ncc(C[N@H+]3CCc4c(cccc4NC(=O)Nc4ccccc4)C3)n2c1 ZINC000537631324 938341188 /nfs/dbraw/zinc/34/11/88/938341188.db2.gz LDHXFGZNBQVCBJ-UHFFFAOYSA-N 1 2 422.492 4.408 20 30 HIEDLO N#Cc1ccc2ncc(C[N@@H+]3CCc4c(cccc4NC(=O)Nc4ccccc4)C3)n2c1 ZINC000537631324 938341190 /nfs/dbraw/zinc/34/11/90/938341190.db2.gz LDHXFGZNBQVCBJ-UHFFFAOYSA-N 1 2 422.492 4.408 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000538280578 938582589 /nfs/dbraw/zinc/58/25/89/938582589.db2.gz UTELSXLTDGETBD-CQSZACIVSA-N 1 2 420.916 4.095 20 30 HIEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000539219871 938820410 /nfs/dbraw/zinc/82/04/10/938820410.db2.gz TZZWZMMJDIDFLX-LJQANCHMSA-N 1 2 405.395 4.169 20 30 HIEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cc1OC ZINC000539829846 938950199 /nfs/dbraw/zinc/95/01/99/938950199.db2.gz VIEZVJOEIJZBNS-HXUWFJFHSA-N 1 2 410.514 4.180 20 30 HIEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cc1OC ZINC000539829846 938950200 /nfs/dbraw/zinc/95/02/00/938950200.db2.gz VIEZVJOEIJZBNS-HXUWFJFHSA-N 1 2 410.514 4.180 20 30 HIEDLO Cc1nc(-c2ccccc2)sc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000542403104 939815554 /nfs/dbraw/zinc/81/55/54/939815554.db2.gz KVDWUYIQTGMFJL-UHFFFAOYSA-N 1 2 417.538 4.340 20 30 HIEDLO Cc1cc(N(C)Cc2ccc(C#N)cc2)nc([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000543019883 939896332 /nfs/dbraw/zinc/89/63/32/939896332.db2.gz TUVWVORZMJUGFS-IBGZPJMESA-N 1 2 410.525 4.358 20 30 HIEDLO Cc1cc(N(C)Cc2ccc(C#N)cc2)nc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000543019883 939896333 /nfs/dbraw/zinc/89/63/33/939896333.db2.gz TUVWVORZMJUGFS-IBGZPJMESA-N 1 2 410.525 4.358 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022116 939896929 /nfs/dbraw/zinc/89/69/29/939896929.db2.gz WIFVPZWRVBGGKJ-TZIWHRDSSA-N 1 2 413.443 4.224 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022116 939896931 /nfs/dbraw/zinc/89/69/31/939896931.db2.gz WIFVPZWRVBGGKJ-TZIWHRDSSA-N 1 2 413.443 4.224 20 30 HIEDLO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543912337 940239829 /nfs/dbraw/zinc/23/98/29/940239829.db2.gz ZCWIBPDVJRNVAN-ZWKOTPCHSA-N 1 2 415.962 4.006 20 30 HIEDLO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543912337 940239834 /nfs/dbraw/zinc/23/98/34/940239834.db2.gz ZCWIBPDVJRNVAN-ZWKOTPCHSA-N 1 2 415.962 4.006 20 30 HIEDLO Cc1cc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c3ccccc3)n2)ccc1F ZINC000544517342 940468524 /nfs/dbraw/zinc/46/85/24/940468524.db2.gz DAZLOWDWVJMVGS-DLBZAZTESA-N 1 2 421.476 4.170 20 30 HIEDLO C=CCc1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc(OC)c1OC ZINC000546282450 940761686 /nfs/dbraw/zinc/76/16/86/940761686.db2.gz UHSVCXMRQYNTKK-UHFFFAOYSA-N 1 2 402.454 4.394 20 30 HIEDLO COc1cc(-c2noc(C[NH2+][C@H](C)c3ccc(C#N)cc3)n2)ccc1OC(F)F ZINC000548936249 941130822 /nfs/dbraw/zinc/13/08/22/941130822.db2.gz ADRYVWVLULYFON-GFCCVEGCSA-N 1 2 400.385 4.069 20 30 HIEDLO CCc1nc(C(C)C)ccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000549508108 941197386 /nfs/dbraw/zinc/19/73/86/941197386.db2.gz HOWGYLOBRIZYLH-UHFFFAOYSA-N 1 2 405.502 4.209 20 30 HIEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551713984 941531461 /nfs/dbraw/zinc/53/14/61/941531461.db2.gz PEBALGOVORMVHJ-LBPRGKRZSA-N 1 2 409.374 4.164 20 30 HIEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551713984 941531465 /nfs/dbraw/zinc/53/14/65/941531465.db2.gz PEBALGOVORMVHJ-LBPRGKRZSA-N 1 2 409.374 4.164 20 30 HIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000553117911 941835710 /nfs/dbraw/zinc/83/57/10/941835710.db2.gz SABDFXNYQDPCEO-QFIPXVFZSA-N 1 2 412.603 4.159 20 30 HIEDLO C[C@@](CO)([NH2+]Cc1ccc(Br)cc1C#N)c1ccc(Br)cc1 ZINC000554255838 942081325 /nfs/dbraw/zinc/08/13/25/942081325.db2.gz DQQQLNJDJHNVSU-KRWDZBQOSA-N 1 2 424.136 4.081 20 30 HIEDLO C=CCOc1ccccc1C[NH2+]Cc1c(Br)cncc1Br ZINC000555091370 942383219 /nfs/dbraw/zinc/38/32/19/942383219.db2.gz ATBHORXBAAGZIS-UHFFFAOYSA-N 1 2 412.125 4.461 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555482222 942585452 /nfs/dbraw/zinc/58/54/52/942585452.db2.gz VXKSGTCVPNDKFA-WOJBJXKFSA-N 1 2 412.896 4.084 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555482222 942585472 /nfs/dbraw/zinc/58/54/72/942585472.db2.gz VXKSGTCVPNDKFA-WOJBJXKFSA-N 1 2 412.896 4.084 20 30 HIEDLO C=C(C)[C@H](CC(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OCC ZINC000555576420 942650577 /nfs/dbraw/zinc/65/05/77/942650577.db2.gz IPSAMTZZIZEYBO-FQEVSTJZSA-N 1 2 402.583 4.097 20 30 HIEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000561512632 944647196 /nfs/dbraw/zinc/64/71/96/944647196.db2.gz XSEOFNSHTDUENO-UHFFFAOYSA-N 1 2 422.504 4.028 20 30 HIEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000561512632 944647203 /nfs/dbraw/zinc/64/72/03/944647203.db2.gz XSEOFNSHTDUENO-UHFFFAOYSA-N 1 2 422.504 4.028 20 30 HIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000436158259 861460025 /nfs/dbraw/zinc/46/00/25/861460025.db2.gz TTXVLXRYELUOEB-UXHICEINSA-N 1 2 409.559 4.433 20 30 HIEDLO C=CCc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc(OC)c1OC ZINC000022290449 846554457 /nfs/dbraw/zinc/55/44/57/846554457.db2.gz HRNLUHJPKYIHLN-UHFFFAOYSA-N 1 2 401.532 4.127 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCCc3nc4ccccc4s3)CC2)cc1 ZINC000023438147 846701936 /nfs/dbraw/zinc/70/19/36/846701936.db2.gz JRMJXOHMAGSIOJ-UHFFFAOYSA-N 1 2 418.566 4.225 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026328446 847126199 /nfs/dbraw/zinc/12/61/99/847126199.db2.gz ADZSHUSTUBZSBC-UHFFFAOYSA-N 1 2 403.530 4.424 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026328446 847126206 /nfs/dbraw/zinc/12/62/06/847126206.db2.gz ADZSHUSTUBZSBC-UHFFFAOYSA-N 1 2 403.530 4.424 20 30 HIEDLO CCOc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(F)F ZINC000026455628 847153492 /nfs/dbraw/zinc/15/34/92/847153492.db2.gz FUFBBQAFXHNXGL-CYBMUJFWSA-N 1 2 421.444 4.227 20 30 HIEDLO CCOc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(F)F ZINC000026455628 847153498 /nfs/dbraw/zinc/15/34/98/847153498.db2.gz FUFBBQAFXHNXGL-CYBMUJFWSA-N 1 2 421.444 4.227 20 30 HIEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000027051681 847240612 /nfs/dbraw/zinc/24/06/12/847240612.db2.gz QLZJVZFAWBJFRK-QHCPKHFHSA-N 1 2 411.461 4.114 20 30 HIEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000027051681 847240620 /nfs/dbraw/zinc/24/06/20/847240620.db2.gz QLZJVZFAWBJFRK-QHCPKHFHSA-N 1 2 411.461 4.114 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000029538655 847575922 /nfs/dbraw/zinc/57/59/22/847575922.db2.gz YXCSFTOYYHENPR-IBGZPJMESA-N 1 2 413.518 4.040 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000029538655 847575928 /nfs/dbraw/zinc/57/59/28/847575928.db2.gz YXCSFTOYYHENPR-IBGZPJMESA-N 1 2 413.518 4.040 20 30 HIEDLO N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000049934797 849334865 /nfs/dbraw/zinc/33/48/65/849334865.db2.gz YELJZIGEMXXFKY-UHFFFAOYSA-N 1 2 414.534 4.208 20 30 HIEDLO COc1cc(-c2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)cs2)ccc1O ZINC000436849859 862026878 /nfs/dbraw/zinc/02/68/78/862026878.db2.gz VNYHOVCQDNWYFD-UHFFFAOYSA-N 1 2 409.511 4.045 20 30 HIEDLO COc1cc(-c2nc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)cs2)ccc1O ZINC000436849859 862026896 /nfs/dbraw/zinc/02/68/96/862026896.db2.gz VNYHOVCQDNWYFD-UHFFFAOYSA-N 1 2 409.511 4.045 20 30 HIEDLO Cc1ccc(OCc2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000054255303 849833921 /nfs/dbraw/zinc/83/39/21/849833921.db2.gz ZXKNIDSKFGOFDW-UHFFFAOYSA-N 1 2 418.566 4.220 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(Br)s1 ZINC000057642570 850687153 /nfs/dbraw/zinc/68/71/53/850687153.db2.gz MXOGXLWZXASUAB-CQSZACIVSA-N 1 2 406.349 4.278 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000057642570 850687161 /nfs/dbraw/zinc/68/71/61/850687161.db2.gz MXOGXLWZXASUAB-CQSZACIVSA-N 1 2 406.349 4.278 20 30 HIEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccc(OC)cc1 ZINC000059423156 851006803 /nfs/dbraw/zinc/00/68/03/851006803.db2.gz LVFVLNRJDQHGLX-NRFANRHFSA-N 1 2 419.481 4.247 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccc(OC)cc1 ZINC000059423156 851006814 /nfs/dbraw/zinc/00/68/14/851006814.db2.gz LVFVLNRJDQHGLX-NRFANRHFSA-N 1 2 419.481 4.247 20 30 HIEDLO COCC[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754274 851756091 /nfs/dbraw/zinc/75/60/91/851756091.db2.gz INQKJHSAYAQQRV-UHFFFAOYSA-N 1 2 413.521 4.236 20 30 HIEDLO COCC[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754274 851756098 /nfs/dbraw/zinc/75/60/98/851756098.db2.gz INQKJHSAYAQQRV-UHFFFAOYSA-N 1 2 413.521 4.236 20 30 HIEDLO C[N@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)Cc1ccc(C#N)cc1 ZINC000065234734 852092290 /nfs/dbraw/zinc/09/22/90/852092290.db2.gz NQQVCHCJJADPFG-UHFFFAOYSA-N 1 2 402.523 4.316 20 30 HIEDLO C[N@@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)Cc1ccc(C#N)cc1 ZINC000065234734 852092296 /nfs/dbraw/zinc/09/22/96/852092296.db2.gz NQQVCHCJJADPFG-UHFFFAOYSA-N 1 2 402.523 4.316 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(CC#N)cc1 ZINC000071901791 852427391 /nfs/dbraw/zinc/42/73/91/852427391.db2.gz FERYNRFPPRRXDC-UHFFFAOYSA-N 1 2 417.513 4.472 20 30 HIEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000108504967 852855533 /nfs/dbraw/zinc/85/55/33/852855533.db2.gz HAIXQUZHQKHFDX-OXQOHEQNSA-N 1 2 412.559 4.289 20 30 HIEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000108504967 852855540 /nfs/dbraw/zinc/85/55/40/852855540.db2.gz HAIXQUZHQKHFDX-OXQOHEQNSA-N 1 2 412.559 4.289 20 30 HIEDLO Cc1ccc(-c2cc(CO[NH+]=C(N)c3ccc(OCc4cccnc4)cc3)on2)cc1 ZINC000110273376 853082649 /nfs/dbraw/zinc/08/26/49/853082649.db2.gz QRUUSLVOKGHVHB-UHFFFAOYSA-N 1 2 414.465 4.461 20 30 HIEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195670876 853749605 /nfs/dbraw/zinc/74/96/05/853749605.db2.gz WIXKUJGSEHXICY-HKUYNNGSSA-N 1 2 424.715 4.047 20 30 HIEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195670876 853749608 /nfs/dbraw/zinc/74/96/08/853749608.db2.gz WIXKUJGSEHXICY-HKUYNNGSSA-N 1 2 424.715 4.047 20 30 HIEDLO N#Cc1cc(F)c(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c(F)c1 ZINC000301086618 854292405 /nfs/dbraw/zinc/29/24/05/854292405.db2.gz GOUUUVLLKFWLOU-UHFFFAOYSA-N 1 2 423.442 4.309 20 30 HIEDLO N#Cc1ccnc(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000301621801 854432245 /nfs/dbraw/zinc/43/22/45/854432245.db2.gz FPHGYHVFLPXMCE-UHFFFAOYSA-N 1 2 410.437 4.385 20 30 HIEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](c2ccc(F)cc2)O1 ZINC000303883732 855268261 /nfs/dbraw/zinc/26/82/61/855268261.db2.gz JKBLISZCHUZCCI-IFXJQAMLSA-N 1 2 413.518 4.038 20 30 HIEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](c2ccc(F)cc2)O1 ZINC000303883732 855268269 /nfs/dbraw/zinc/26/82/69/855268269.db2.gz JKBLISZCHUZCCI-IFXJQAMLSA-N 1 2 413.518 4.038 20 30 HIEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426095596 856104940 /nfs/dbraw/zinc/10/49/40/856104940.db2.gz FWVRAMCZCHLCGM-IFMALSPDSA-N 1 2 401.470 4.204 20 30 HIEDLO O=c1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2n1Cc1[nH+]ccn1C(F)F ZINC000427273866 856746520 /nfs/dbraw/zinc/74/65/20/856746520.db2.gz HRPALXSZMYCGLX-UHFFFAOYSA-N 1 2 412.240 4.074 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000428689333 857297519 /nfs/dbraw/zinc/29/75/19/857297519.db2.gz QFCYJRQLULGWHV-UHFFFAOYSA-N 1 2 422.558 4.309 20 30 HIEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429221678 857561611 /nfs/dbraw/zinc/56/16/11/857561611.db2.gz LANMTYPUDWBYBD-CYBMUJFWSA-N 1 2 403.313 4.467 20 30 HIEDLO COc1ccc(NC(=O)c2nnc(C[NH2+][C@H](CCCC#N)c3ccccc3)s2)cc1 ZINC000433028975 859488455 /nfs/dbraw/zinc/48/84/55/859488455.db2.gz QSQOPTMMCXAXKM-LJQANCHMSA-N 1 2 421.526 4.324 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CCc3cc(Br)ccc3C2)c(-c2ccncc2)n1 ZINC000434987166 860587220 /nfs/dbraw/zinc/58/72/20/860587220.db2.gz SHMZDADRVLBDKD-UHFFFAOYSA-N 1 2 422.330 4.180 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CCc3cc(Br)ccc3C2)c(-c2ccncc2)n1 ZINC000434987166 860587227 /nfs/dbraw/zinc/58/72/27/860587227.db2.gz SHMZDADRVLBDKD-UHFFFAOYSA-N 1 2 422.330 4.180 20 30 HIEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000437913385 863290296 /nfs/dbraw/zinc/29/02/96/863290296.db2.gz YHXZSCGVBRFZIA-UHFFFAOYSA-N 1 2 412.339 4.122 20 30 HIEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000437913385 863290306 /nfs/dbraw/zinc/29/03/06/863290306.db2.gz YHXZSCGVBRFZIA-UHFFFAOYSA-N 1 2 412.339 4.122 20 30 HIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000438064333 863438093 /nfs/dbraw/zinc/43/80/93/863438093.db2.gz JNYQMABHIVXTJF-IRLDBZIGSA-N 1 2 415.497 4.266 20 30 HIEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000438064332 863439877 /nfs/dbraw/zinc/43/98/77/863439877.db2.gz JNYQMABHIVXTJF-IFMALSPDSA-N 1 2 415.497 4.266 20 30 HIEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000439779142 865102593 /nfs/dbraw/zinc/10/25/93/865102593.db2.gz CAWGHBXCIDQETR-WZONZLPQSA-N 1 2 422.598 4.378 20 30 HIEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000439779142 865102600 /nfs/dbraw/zinc/10/26/00/865102600.db2.gz CAWGHBXCIDQETR-WZONZLPQSA-N 1 2 422.598 4.378 20 30 HIEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)c1 ZINC000440241346 865479274 /nfs/dbraw/zinc/47/92/74/865479274.db2.gz KIAJLYGQZOSNQF-WMZHIEFXSA-N 1 2 406.530 4.128 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(I)cc3)CC2)cc1 ZINC000441498936 866580865 /nfs/dbraw/zinc/58/08/65/866580865.db2.gz NGQKZHLZCUGRSO-UHFFFAOYSA-N 1 2 418.278 4.206 20 30 HIEDLO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(CC#N)cc2)c2ccccc2OC)cc1 ZINC000443451141 868038712 /nfs/dbraw/zinc/03/87/12/868038712.db2.gz FCZHHHWHSFGFDP-RUZDIDTESA-N 1 2 415.493 4.088 20 30 HIEDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(C)n1Cc1ccco1 ZINC000444252574 868699930 /nfs/dbraw/zinc/69/99/30/868699930.db2.gz WIGMWNJQIUUMBN-UHFFFAOYSA-N 1 2 417.509 4.344 20 30 HIEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444680092 868954462 /nfs/dbraw/zinc/95/44/62/868954462.db2.gz DLQDNQYOURQGOF-XMMPIXPASA-N 1 2 414.553 4.310 20 30 HIEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444680092 868954470 /nfs/dbraw/zinc/95/44/70/868954470.db2.gz DLQDNQYOURQGOF-XMMPIXPASA-N 1 2 414.553 4.310 20 30 HIEDLO N#Cc1ccccc1COc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000445823092 869845190 /nfs/dbraw/zinc/84/51/90/869845190.db2.gz AGZWRWCEGQMFMB-IFMALSPDSA-N 1 2 416.481 4.113 20 30 HIEDLO N#Cc1ccccc1COc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000445823092 869845191 /nfs/dbraw/zinc/84/51/91/869845191.db2.gz AGZWRWCEGQMFMB-IFMALSPDSA-N 1 2 416.481 4.113 20 30 HIEDLO COc1ccc(Cn2nc(C)c(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)c2C)cc1 ZINC000468407730 882351200 /nfs/dbraw/zinc/35/12/00/882351200.db2.gz IZXLQMRYHUBTFY-RUZDIDTESA-N 1 2 416.525 4.002 20 30 HIEDLO COc1ccc(Cn2nc(C)c(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)c2C)cc1 ZINC000468407730 882351218 /nfs/dbraw/zinc/35/12/18/882351218.db2.gz IZXLQMRYHUBTFY-RUZDIDTESA-N 1 2 416.525 4.002 20 30 HIEDLO C=CCn1c(SCC(=O)Nc2cccc3[nH+]ccn32)nnc1-c1ccc(Cl)cc1 ZINC000460328853 872931453 /nfs/dbraw/zinc/93/14/53/872931453.db2.gz JJKGPYWMXNWRRF-UHFFFAOYSA-N 1 2 424.917 4.163 20 30 HIEDLO COc1ccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc2Cl)c(C)c1 ZINC000462172121 875268745 /nfs/dbraw/zinc/26/87/45/875268745.db2.gz SRGJSEKXALOXGN-DHIUTWEWSA-N 1 2 411.933 4.145 20 30 HIEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)cs1 ZINC000463657598 876778679 /nfs/dbraw/zinc/77/86/79/876778679.db2.gz ZGQMNNHCDINKJT-CQSZACIVSA-N 1 2 424.492 4.453 20 30 HIEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)cs1 ZINC000463657598 876778687 /nfs/dbraw/zinc/77/86/87/876778687.db2.gz ZGQMNNHCDINKJT-CQSZACIVSA-N 1 2 424.492 4.453 20 30 HIEDLO N#Cc1ccc(OC2CN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)C2)cc1 ZINC000463695934 876815352 /nfs/dbraw/zinc/81/53/52/876815352.db2.gz KZHDBFCQHUHNJS-UHFFFAOYSA-N 1 2 413.481 4.053 20 30 HIEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000464497368 877716418 /nfs/dbraw/zinc/71/64/18/877716418.db2.gz XVGXTUSNWBUERA-ZWKOTPCHSA-N 1 2 417.575 4.073 20 30 HIEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000464497368 877716428 /nfs/dbraw/zinc/71/64/28/877716428.db2.gz XVGXTUSNWBUERA-ZWKOTPCHSA-N 1 2 417.575 4.073 20 30 HIEDLO CCCCOC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000464857619 878139098 /nfs/dbraw/zinc/13/90/98/878139098.db2.gz KUEINZIILMTHII-UHFFFAOYSA-N 1 2 408.546 4.185 20 30 HIEDLO N#CCSCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000466605049 880374601 /nfs/dbraw/zinc/37/46/01/880374601.db2.gz WNCNTZRTZZQMHK-UHFFFAOYSA-N 1 2 405.568 4.131 20 30 HIEDLO N#CCSCCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000466614561 880386242 /nfs/dbraw/zinc/38/62/42/880386242.db2.gz UMDWNMFQANCUGL-UHFFFAOYSA-N 1 2 407.996 4.255 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1C#N ZINC000469998126 884214304 /nfs/dbraw/zinc/21/43/04/884214304.db2.gz BSFFJUAQSJTSRT-KRWDZBQOSA-N 1 2 422.451 4.219 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1C#N ZINC000469998126 884214329 /nfs/dbraw/zinc/21/43/29/884214329.db2.gz BSFFJUAQSJTSRT-KRWDZBQOSA-N 1 2 422.451 4.219 20 30 HIEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](c2ccsc2)O1 ZINC000470199416 884510651 /nfs/dbraw/zinc/51/06/51/884510651.db2.gz YTBNHLYJPRQTMB-KBXCAEBGSA-N 1 2 415.584 4.351 20 30 HIEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](c2ccsc2)O1 ZINC000470199416 884510669 /nfs/dbraw/zinc/51/06/69/884510669.db2.gz YTBNHLYJPRQTMB-KBXCAEBGSA-N 1 2 415.584 4.351 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000470286206 884655941 /nfs/dbraw/zinc/65/59/41/884655941.db2.gz KNRCIQCPGBMTOC-GOSISDBHSA-N 1 2 402.523 4.463 20 30 HIEDLO C=C(C)C[N@@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1 ZINC000470918160 885425989 /nfs/dbraw/zinc/42/59/89/885425989.db2.gz ORUOGNYFZKCXJM-UHFFFAOYSA-N 1 2 409.486 4.341 20 30 HIEDLO C=C(C)C[N@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1 ZINC000470918160 885426004 /nfs/dbraw/zinc/42/60/04/885426004.db2.gz ORUOGNYFZKCXJM-UHFFFAOYSA-N 1 2 409.486 4.341 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c1C#N ZINC000471018933 885522816 /nfs/dbraw/zinc/52/28/16/885522816.db2.gz QFZYUSPXPYDOEM-HJPURHCSSA-N 1 2 402.498 4.249 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c1C#N ZINC000471018933 885522823 /nfs/dbraw/zinc/52/28/23/885522823.db2.gz QFZYUSPXPYDOEM-HJPURHCSSA-N 1 2 402.498 4.249 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3cccs3)C2)sc2c1CCCCC2 ZINC000472816156 887659167 /nfs/dbraw/zinc/65/91/67/887659167.db2.gz IJUVRCOUYLVBON-KRWDZBQOSA-N 1 2 415.584 4.352 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3cccs3)C2)sc2c1CCCCC2 ZINC000472816156 887659173 /nfs/dbraw/zinc/65/91/73/887659173.db2.gz IJUVRCOUYLVBON-KRWDZBQOSA-N 1 2 415.584 4.352 20 30 HIEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000504437418 913248441 /nfs/dbraw/zinc/24/84/41/913248441.db2.gz ZNOULXRRIJAOPI-FQEVSTJZSA-N 1 2 412.331 4.116 20 30 HIEDLO C=CCC[C@H](C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)c1ccccc1 ZINC000474280182 889145129 /nfs/dbraw/zinc/14/51/29/889145129.db2.gz VBBSNQJNTXJADO-DEOSSOPVSA-N 1 2 405.542 4.039 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cc1C(F)(F)F ZINC000475019941 889872338 /nfs/dbraw/zinc/87/23/38/889872338.db2.gz WDMUJPMLXCPAPN-UHFFFAOYSA-N 1 2 417.412 4.368 20 30 HIEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000475109274 889958653 /nfs/dbraw/zinc/95/86/53/889958653.db2.gz LFKNNNFUFGVHNL-GOSISDBHSA-N 1 2 406.530 4.091 20 30 HIEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000475109274 889958668 /nfs/dbraw/zinc/95/86/68/889958668.db2.gz LFKNNNFUFGVHNL-GOSISDBHSA-N 1 2 406.530 4.091 20 30 HIEDLO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(-c2cccs2)n1 ZINC000475349433 890273181 /nfs/dbraw/zinc/27/31/81/890273181.db2.gz GTBQXXAWQOFYEQ-IBGZPJMESA-N 1 2 411.962 4.184 20 30 HIEDLO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)ccc1SC ZINC000476236871 891160889 /nfs/dbraw/zinc/16/08/89/891160889.db2.gz WMXBJMFVDCVOPS-UHFFFAOYSA-N 1 2 417.962 4.449 20 30 HIEDLO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)ccc1SC ZINC000476236871 891160895 /nfs/dbraw/zinc/16/08/95/891160895.db2.gz WMXBJMFVDCVOPS-UHFFFAOYSA-N 1 2 417.962 4.449 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000476669257 891617551 /nfs/dbraw/zinc/61/75/51/891617551.db2.gz UQXXCRVZHGSSFK-KRWDZBQOSA-N 1 2 419.300 4.321 20 30 HIEDLO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)c1 ZINC000477298486 892259495 /nfs/dbraw/zinc/25/94/95/892259495.db2.gz BBHBCHPWGNKCIS-UHFFFAOYSA-N 1 2 411.552 4.061 20 30 HIEDLO C=CCn1c(SCc2c[nH+]cn2C)nc2scc(-c3cccs3)c2c1=O ZINC000481752136 897142064 /nfs/dbraw/zinc/14/20/64/897142064.db2.gz SFMILUQIZSTNDO-UHFFFAOYSA-N 1 2 400.554 4.398 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000482912685 898530806 /nfs/dbraw/zinc/53/08/06/898530806.db2.gz CWWHVUKUZBNILL-IBGZPJMESA-N 1 2 423.582 4.045 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000482912685 898530813 /nfs/dbraw/zinc/53/08/13/898530813.db2.gz CWWHVUKUZBNILL-IBGZPJMESA-N 1 2 423.582 4.045 20 30 HIEDLO Cc1ccncc1C[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000483034406 898699331 /nfs/dbraw/zinc/69/93/31/898699331.db2.gz CBOWPYCYMDOGQT-UHFFFAOYSA-N 1 2 413.525 4.002 20 30 HIEDLO Cc1ccncc1C[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000483034406 898699341 /nfs/dbraw/zinc/69/93/41/898699341.db2.gz CBOWPYCYMDOGQT-UHFFFAOYSA-N 1 2 413.525 4.002 20 30 HIEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c(Br)c1 ZINC000483108012 898800601 /nfs/dbraw/zinc/80/06/01/898800601.db2.gz GXGLDSKNBLIRSI-OAHLLOKOSA-N 1 2 415.209 4.043 20 30 HIEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000483249763 898891348 /nfs/dbraw/zinc/89/13/48/898891348.db2.gz KMHXOPAPAQMJFK-HXUWFJFHSA-N 1 2 414.509 4.487 20 30 HIEDLO COc1ccc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)cc1OCCCC#N ZINC000505847534 914496308 /nfs/dbraw/zinc/49/63/08/914496308.db2.gz AYQYMOQDKQSEBO-YFHOEESVSA-N 1 2 405.542 4.209 20 30 HIEDLO Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000491091654 904423625 /nfs/dbraw/zinc/42/36/25/904423625.db2.gz QBYBEJJAKVTWRK-DEOSSOPVSA-N 1 2 404.558 4.481 20 30 HIEDLO Cc1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)ccc1F ZINC000491244241 904499642 /nfs/dbraw/zinc/49/96/42/904499642.db2.gz UGJALYGCXNITJR-FQEVSTJZSA-N 1 2 401.869 4.061 20 30 HIEDLO Cc1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)ccc1F ZINC000491244241 904499647 /nfs/dbraw/zinc/49/96/47/904499647.db2.gz UGJALYGCXNITJR-FQEVSTJZSA-N 1 2 401.869 4.061 20 30 HIEDLO CC(C)[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000491251435 904502403 /nfs/dbraw/zinc/50/24/03/904502403.db2.gz ZDSRFSSOEDPXCO-UHFFFAOYSA-N 1 2 412.497 4.018 20 30 HIEDLO CC(C)[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000491251435 904502414 /nfs/dbraw/zinc/50/24/14/904502414.db2.gz ZDSRFSSOEDPXCO-UHFFFAOYSA-N 1 2 412.497 4.018 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000497022917 906793549 /nfs/dbraw/zinc/79/35/49/906793549.db2.gz ZFDPUXXOQXWOFU-UHFFFAOYSA-N 1 2 417.534 4.157 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c(F)c1 ZINC000512843353 921345902 /nfs/dbraw/zinc/34/59/02/921345902.db2.gz GRPIONMDJOMNTO-UHFFFAOYSA-N 1 2 422.416 4.304 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000499739184 908894957 /nfs/dbraw/zinc/89/49/57/908894957.db2.gz OKQVZASKVPFISC-WOJBJXKFSA-N 1 2 414.336 4.313 20 30 HIEDLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000499739310 908895110 /nfs/dbraw/zinc/89/51/10/908895110.db2.gz PBPXGUGTKULRSS-MRXNPFEDSA-N 1 2 416.352 4.388 20 30 HIEDLO C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000499942998 909048647 /nfs/dbraw/zinc/04/86/47/909048647.db2.gz ZHLPUYSRLOGVER-LLVKDONJSA-N 1 2 400.338 4.033 20 30 HIEDLO N#Cc1cccc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)c1 ZINC000501137643 910319140 /nfs/dbraw/zinc/31/91/40/910319140.db2.gz VNWRCBRWGDKQLU-UHFFFAOYSA-N 1 2 416.422 4.028 20 30 HIEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(Cl)c1 ZINC000502165391 911086214 /nfs/dbraw/zinc/08/62/14/911086214.db2.gz INKQKTKRQVBHRP-INIZCTEOSA-N 1 2 424.932 4.198 20 30 HIEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)Cc1ccncc1 ZINC000502730160 911757878 /nfs/dbraw/zinc/75/78/78/911757878.db2.gz FFPVXNFKTMVFEJ-UHFFFAOYSA-N 1 2 419.504 4.020 20 30 HIEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)Cc1ccncc1 ZINC000502730160 911757889 /nfs/dbraw/zinc/75/78/89/911757889.db2.gz FFPVXNFKTMVFEJ-UHFFFAOYSA-N 1 2 419.504 4.020 20 30 HIEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1OCCCC#N ZINC000506875250 915665630 /nfs/dbraw/zinc/66/56/30/915665630.db2.gz MOPXNVHXQLXLLJ-UHFFFAOYSA-N 1 2 401.894 4.102 20 30 HIEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1OCCCC#N ZINC000506875250 915665641 /nfs/dbraw/zinc/66/56/41/915665641.db2.gz MOPXNVHXQLXLLJ-UHFFFAOYSA-N 1 2 401.894 4.102 20 30 HIEDLO CCSc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000508562551 917338095 /nfs/dbraw/zinc/33/80/95/917338095.db2.gz FZUQPPSSAIRHQF-GOSISDBHSA-N 1 2 408.571 4.259 20 30 HIEDLO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000508788293 917544143 /nfs/dbraw/zinc/54/41/43/917544143.db2.gz CDTGRFRQIVPQSG-NRFANRHFSA-N 1 2 424.499 4.078 20 30 HIEDLO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000510409897 918880122 /nfs/dbraw/zinc/88/01/22/918880122.db2.gz AFFYVLCXKRYKFY-QGZVFWFLSA-N 1 2 418.884 4.408 20 30 HIEDLO COc1sc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1Br ZINC000510538771 918984275 /nfs/dbraw/zinc/98/42/75/918984275.db2.gz NWTFXVVPSNBEPU-UHFFFAOYSA-N 1 2 407.333 4.434 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC([C@H](F)c3ccccc3F)CC2)C1=O ZINC000511110992 919722340 /nfs/dbraw/zinc/72/23/40/919722340.db2.gz WRDWWSSVANOUOK-OALUTQOASA-N 1 2 401.482 4.287 20 30 HIEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@H](CCO)c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000512163559 920900357 /nfs/dbraw/zinc/90/03/57/920900357.db2.gz MAWNICZCBWFYME-QGZVFWFLSA-N 1 2 403.269 4.128 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000512198246 920942728 /nfs/dbraw/zinc/94/27/28/920942728.db2.gz VMPANVMIWBINKQ-CQSZACIVSA-N 1 2 412.408 4.076 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000512198246 920942737 /nfs/dbraw/zinc/94/27/37/920942737.db2.gz VMPANVMIWBINKQ-CQSZACIVSA-N 1 2 412.408 4.076 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000512210522 920956494 /nfs/dbraw/zinc/95/64/94/920956494.db2.gz DUUFFKYOUGHFKM-IBGZPJMESA-N 1 2 409.313 4.262 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000512210522 920956519 /nfs/dbraw/zinc/95/65/19/920956519.db2.gz DUUFFKYOUGHFKM-IBGZPJMESA-N 1 2 409.313 4.262 20 30 HIEDLO CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513582339 921913349 /nfs/dbraw/zinc/91/33/49/921913349.db2.gz LTNXUQHAJHZBTN-QFIXIFRTSA-N 1 2 410.315 4.246 20 30 HIEDLO CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513582339 921913353 /nfs/dbraw/zinc/91/33/53/921913353.db2.gz LTNXUQHAJHZBTN-QFIXIFRTSA-N 1 2 410.315 4.246 20 30 HIEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc(OC)c1O ZINC000513736782 922056830 /nfs/dbraw/zinc/05/68/30/922056830.db2.gz LTUXQOYEHQCQEB-FQEVSTJZSA-N 1 2 405.441 4.304 20 30 HIEDLO C=CCc1cc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc(OC)c1O ZINC000513736782 922056845 /nfs/dbraw/zinc/05/68/45/922056845.db2.gz LTUXQOYEHQCQEB-FQEVSTJZSA-N 1 2 405.441 4.304 20 30 HIEDLO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1nc(-c2cccs2)no1 ZINC000516348456 923680719 /nfs/dbraw/zinc/68/07/19/923680719.db2.gz YOTZQAKADRTNLS-UHFFFAOYSA-N 1 2 404.499 4.207 20 30 HIEDLO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1nc(-c2cccs2)no1 ZINC000516348456 923680729 /nfs/dbraw/zinc/68/07/29/923680729.db2.gz YOTZQAKADRTNLS-UHFFFAOYSA-N 1 2 404.499 4.207 20 30 HIEDLO Cc1nc(SCC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c(C#N)c(C)c1C ZINC000517856396 926864473 /nfs/dbraw/zinc/86/44/73/926864473.db2.gz OLNCYIMCPHSFNX-GOSISDBHSA-N 1 2 424.570 4.003 20 30 HIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000517905583 926884012 /nfs/dbraw/zinc/88/40/12/926884012.db2.gz KQYCGCWOSJIYGJ-IBGZPJMESA-N 1 2 406.530 4.396 20 30 HIEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000519200572 927824293 /nfs/dbraw/zinc/82/42/93/927824293.db2.gz RTRAVUMIMDFTGY-IBGZPJMESA-N 1 2 404.514 4.172 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520197341 928383261 /nfs/dbraw/zinc/38/32/61/928383261.db2.gz CORXKYWMSOIIFD-ICSRJNTNSA-N 1 2 424.570 4.103 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520197341 928383274 /nfs/dbraw/zinc/38/32/74/928383274.db2.gz CORXKYWMSOIIFD-ICSRJNTNSA-N 1 2 424.570 4.103 20 30 HIEDLO CC(C)[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000520761863 928805244 /nfs/dbraw/zinc/80/52/44/928805244.db2.gz IWZPKNQGPWAIRJ-IECBHUPTSA-N 1 2 421.541 4.210 20 30 HIEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000531756094 931184093 /nfs/dbraw/zinc/18/40/93/931184093.db2.gz DJOIKKNYVGCIJT-UHFFFAOYSA-N 1 2 415.459 4.465 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1C#N ZINC000532648435 931567462 /nfs/dbraw/zinc/56/74/62/931567462.db2.gz SZXVVYIDQPPVLF-HSZRJFAPSA-N 1 2 413.525 4.445 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1C#N ZINC000532648435 931567470 /nfs/dbraw/zinc/56/74/70/931567470.db2.gz SZXVVYIDQPPVLF-HSZRJFAPSA-N 1 2 413.525 4.445 20 30 HIEDLO COc1cc(CN2CC[NH+](Cc3ccco3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000533229053 931814564 /nfs/dbraw/zinc/81/45/64/931814564.db2.gz XCGBVDXGTDJQRS-UHFFFAOYSA-N 1 2 417.509 4.057 20 30 HIEDLO COc1ccc(OC2CC[NH+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000533240722 931816834 /nfs/dbraw/zinc/81/68/34/931816834.db2.gz PKGOQLVFCSZZRJ-OAHLLOKOSA-N 1 2 413.905 4.091 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1ccc(OC)cc1 ZINC000533246463 931818151 /nfs/dbraw/zinc/81/81/51/931818151.db2.gz SZMIWKNLRGLUSU-UHFFFAOYSA-N 1 2 403.320 4.393 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1ccc(OC)cc1 ZINC000533246463 931818152 /nfs/dbraw/zinc/81/81/52/931818152.db2.gz SZMIWKNLRGLUSU-UHFFFAOYSA-N 1 2 403.320 4.393 20 30 HIEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285287 931828227 /nfs/dbraw/zinc/82/82/27/931828227.db2.gz ZDOSUHXXWOENSC-KRWDZBQOSA-N 1 2 421.932 4.459 20 30 HIEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285287 931828230 /nfs/dbraw/zinc/82/82/30/931828230.db2.gz ZDOSUHXXWOENSC-KRWDZBQOSA-N 1 2 421.932 4.459 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000533285214 931828246 /nfs/dbraw/zinc/82/82/46/931828246.db2.gz XFAQZKHKYMHFAY-VQIMIIECSA-N 1 2 423.538 4.443 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000533285214 931828247 /nfs/dbraw/zinc/82/82/47/931828247.db2.gz XFAQZKHKYMHFAY-VQIMIIECSA-N 1 2 423.538 4.443 20 30 HIEDLO Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000533532373 931895831 /nfs/dbraw/zinc/89/58/31/931895831.db2.gz AHHZFQMAEIFBMP-INIZCTEOSA-N 1 2 408.571 4.320 20 30 HIEDLO C=CCNC(=O)c1ccc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000533855829 932064253 /nfs/dbraw/zinc/06/42/53/932064253.db2.gz UMWOEFISELGFEH-UHFFFAOYSA-N 1 2 413.481 4.162 20 30 HIEDLO CCN(C(=O)c1ccc(CC#N)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533934742 932109036 /nfs/dbraw/zinc/10/90/36/932109036.db2.gz ZMIBWNYRKBGFGQ-UHFFFAOYSA-N 1 2 405.546 4.106 20 30 HIEDLO C=CCc1ccc(OCC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c(OC)c1 ZINC000534557970 932562868 /nfs/dbraw/zinc/56/28/68/932562868.db2.gz JFJZUASHVKMMCT-UHFFFAOYSA-N 1 2 415.493 4.356 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573171 933248096 /nfs/dbraw/zinc/24/80/96/933248096.db2.gz GRZZKYXMKPHPCZ-INIZCTEOSA-N 1 2 423.586 4.187 20 30 HIEDLO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)cc1OCCCC#N ZINC000537622596 938337284 /nfs/dbraw/zinc/33/72/84/938337284.db2.gz DJXJYFAFIZETJG-UHFFFAOYSA-N 1 2 417.912 4.492 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000537841626 938387335 /nfs/dbraw/zinc/38/73/35/938387335.db2.gz QQBVUWHRGVGWPG-UHFFFAOYSA-N 1 2 420.557 4.049 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000537841626 938387340 /nfs/dbraw/zinc/38/73/40/938387340.db2.gz QQBVUWHRGVGWPG-UHFFFAOYSA-N 1 2 420.557 4.049 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000537859354 938392136 /nfs/dbraw/zinc/39/21/36/938392136.db2.gz ACHDALRVKCPCES-UHFFFAOYSA-N 1 2 405.546 4.480 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000537859354 938392141 /nfs/dbraw/zinc/39/21/41/938392141.db2.gz ACHDALRVKCPCES-UHFFFAOYSA-N 1 2 405.546 4.480 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538023062 938467673 /nfs/dbraw/zinc/46/76/73/938467673.db2.gz QAGPBUCPZMQBCG-PUCZYUMASA-N 1 2 415.896 4.070 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538023062 938467679 /nfs/dbraw/zinc/46/76/79/938467679.db2.gz QAGPBUCPZMQBCG-PUCZYUMASA-N 1 2 415.896 4.070 20 30 HIEDLO COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000538365733 938604690 /nfs/dbraw/zinc/60/46/90/938604690.db2.gz ZZRKSVXBBAESNM-IBGZPJMESA-N 1 2 400.463 4.494 20 30 HIEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701234 938906979 /nfs/dbraw/zinc/90/69/79/938906979.db2.gz MUXOSXKAQJFBSQ-PKOBYXMFSA-N 1 2 421.303 4.353 20 30 HIEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701234 938906990 /nfs/dbraw/zinc/90/69/90/938906990.db2.gz MUXOSXKAQJFBSQ-PKOBYXMFSA-N 1 2 421.303 4.353 20 30 HIEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)c[nH]1 ZINC000539807380 938938969 /nfs/dbraw/zinc/93/89/69/938938969.db2.gz VBPDJLFWYCPCQR-UHFFFAOYSA-N 1 2 410.930 4.226 20 30 HIEDLO CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(C#N)c(Cl)c1 ZINC000540273596 939179479 /nfs/dbraw/zinc/17/94/79/939179479.db2.gz QKBMUEHHJMURPK-UHFFFAOYSA-N 1 2 421.888 4.104 20 30 HIEDLO CSc1ccc([C@@H](CNC(=O)NC[C@@H](C)C#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000541016855 939431726 /nfs/dbraw/zinc/43/17/26/939431726.db2.gz MJEYOEFVYKNCKB-HNAYVOBHSA-N 1 2 414.600 4.028 20 30 HIEDLO CSc1ccc([C@@H](CNC(=O)NC[C@@H](C)C#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000541016855 939431727 /nfs/dbraw/zinc/43/17/27/939431727.db2.gz MJEYOEFVYKNCKB-HNAYVOBHSA-N 1 2 414.600 4.028 20 30 HIEDLO N#Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)ccc1Cl ZINC000541583688 939560330 /nfs/dbraw/zinc/56/03/30/939560330.db2.gz HRYJLTAVRIUSJE-UHFFFAOYSA-N 1 2 408.914 4.479 20 30 HIEDLO N#Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)ccc1Cl ZINC000541583688 939560333 /nfs/dbraw/zinc/56/03/33/939560333.db2.gz HRYJLTAVRIUSJE-UHFFFAOYSA-N 1 2 408.914 4.479 20 30 HIEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)n1 ZINC000541652514 939588360 /nfs/dbraw/zinc/58/83/60/939588360.db2.gz TXUSDLJNIFMDQR-CQSZACIVSA-N 1 2 411.506 4.159 20 30 HIEDLO C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542051252 939699434 /nfs/dbraw/zinc/69/94/34/939699434.db2.gz MBCBJUIDIBQFRM-GOSISDBHSA-N 1 2 413.525 4.361 20 30 HIEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)o1 ZINC000542557261 939843240 /nfs/dbraw/zinc/84/32/40/939843240.db2.gz IRBQHLFVIOXJSO-OAQYLSRUSA-N 1 2 420.513 4.037 20 30 HIEDLO COc1cc(C[NH2+][C@@H](CO)c2c(F)cccc2F)ccc1OCc1cccc(C#N)c1 ZINC000542886460 939865387 /nfs/dbraw/zinc/86/53/87/939865387.db2.gz DGQVHGYIUJTMMA-NRFANRHFSA-N 1 2 424.447 4.247 20 30 HIEDLO Cc1cc(N(C)Cc2ccc(C#N)cc2)nc([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000543019884 939896365 /nfs/dbraw/zinc/89/63/65/939896365.db2.gz TUVWVORZMJUGFS-LJQANCHMSA-N 1 2 410.525 4.358 20 30 HIEDLO Cc1cc(N(C)Cc2ccc(C#N)cc2)nc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000543019884 939896366 /nfs/dbraw/zinc/89/63/66/939896366.db2.gz TUVWVORZMJUGFS-LJQANCHMSA-N 1 2 410.525 4.358 20 30 HIEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)cc2)nc1 ZINC000543094793 939940168 /nfs/dbraw/zinc/94/01/68/939940168.db2.gz FHIDKEGWUCIJBM-UHFFFAOYSA-N 1 2 415.497 4.275 20 30 HIEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C2CC2)cc1 ZINC000543175367 939985526 /nfs/dbraw/zinc/98/55/26/939985526.db2.gz NSXMMZZOZZTISV-NRFANRHFSA-N 1 2 414.465 4.087 20 30 HIEDLO N#Cc1ccc(C[N@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C2CC2)cc1 ZINC000543175367 939985529 /nfs/dbraw/zinc/98/55/29/939985529.db2.gz NSXMMZZOZZTISV-NRFANRHFSA-N 1 2 414.465 4.087 20 30 HIEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(C)c1 ZINC000543336081 940035303 /nfs/dbraw/zinc/03/53/03/940035303.db2.gz PINVCQHZWXRGHC-XMMPIXPASA-N 1 2 413.525 4.487 20 30 HIEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)n1 ZINC000543510673 940090087 /nfs/dbraw/zinc/09/00/87/940090087.db2.gz ICCOBJGUYQYZEB-MRXNPFEDSA-N 1 2 419.554 4.282 20 30 HIEDLO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)cs1 ZINC000543516782 940092986 /nfs/dbraw/zinc/09/29/86/940092986.db2.gz AQPYDSWFWLTHJI-CQSZACIVSA-N 1 2 423.504 4.278 20 30 HIEDLO Cc1cc(N(C)Cc2cccc(C#N)c2)nc([C@H](C)[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000543947090 940260150 /nfs/dbraw/zinc/26/01/50/940260150.db2.gz LDUMMVIXANWJQD-IBGZPJMESA-N 1 2 410.525 4.358 20 30 HIEDLO Cc1cc(N(C)Cc2cccc(C#N)c2)nc([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000543947090 940260156 /nfs/dbraw/zinc/26/01/56/940260156.db2.gz LDUMMVIXANWJQD-IBGZPJMESA-N 1 2 410.525 4.358 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000544516639 940468653 /nfs/dbraw/zinc/46/86/53/940468653.db2.gz HEDKPRXWZQGMER-CABCVRRESA-N 1 2 414.506 4.191 20 30 HIEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000544522495 940470857 /nfs/dbraw/zinc/47/08/57/940470857.db2.gz PCTFOJZZCMFVQN-UHFFFAOYSA-N 1 2 417.469 4.134 20 30 HIEDLO C=CCOc1ccc(/C=C\c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cc1OC ZINC000544632753 940495012 /nfs/dbraw/zinc/49/50/12/940495012.db2.gz AYOMXIHKIYZICS-NTMALXAHSA-N 1 2 402.454 4.360 20 30 HIEDLO N#Cc1cccc(N2CC[NH+]([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)CC2)n1 ZINC000544881468 940521377 /nfs/dbraw/zinc/52/13/77/940521377.db2.gz KBPNINMQKAQRFU-RUZDIDTESA-N 1 2 421.504 4.181 20 30 HIEDLO C=CCC(CC=C)c1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000545093859 940541908 /nfs/dbraw/zinc/54/19/08/940541908.db2.gz MCWNZAVKMDNAGM-UHFFFAOYSA-N 1 2 402.502 4.089 20 30 HIEDLO C=CCOc1c(Br)cc(CNc2cc(CC#N)cc[nH+]2)cc1OCC ZINC000545218996 940556628 /nfs/dbraw/zinc/55/66/28/940556628.db2.gz FEZHKMBKZAIYNC-UHFFFAOYSA-N 1 2 402.292 4.486 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000548798147 941124399 /nfs/dbraw/zinc/12/43/99/941124399.db2.gz YCVXBKVFOSEQBF-UHFFFAOYSA-N 1 2 408.590 4.433 20 30 HIEDLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)ccc1OC(F)F ZINC000548936250 941130833 /nfs/dbraw/zinc/13/08/33/941130833.db2.gz ADRYVWVLULYFON-LBPRGKRZSA-N 1 2 400.385 4.069 20 30 HIEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000550078608 941281153 /nfs/dbraw/zinc/28/11/53/941281153.db2.gz CSCGGESZMYFUDP-QUCCMNQESA-N 1 2 417.347 4.149 20 30 HIEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000550078608 941281156 /nfs/dbraw/zinc/28/11/56/941281156.db2.gz CSCGGESZMYFUDP-QUCCMNQESA-N 1 2 417.347 4.149 20 30 HIEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000554228128 942073001 /nfs/dbraw/zinc/07/30/01/942073001.db2.gz ZPGCRMQLEAOCTN-UHFFFAOYSA-N 1 2 403.345 4.446 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1C ZINC000558131478 943389623 /nfs/dbraw/zinc/38/96/23/943389623.db2.gz BWBQAZZWVGRBMP-LEWJYISDSA-N 1 2 423.582 4.051 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1C ZINC000558131478 943389633 /nfs/dbraw/zinc/38/96/33/943389633.db2.gz BWBQAZZWVGRBMP-LEWJYISDSA-N 1 2 423.582 4.051 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000558627883 943620702 /nfs/dbraw/zinc/62/07/02/943620702.db2.gz GNZRDXCZFIBAHJ-SFHVURJKSA-N 1 2 415.324 4.051 20 30 HIEDLO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000558996613 943795394 /nfs/dbraw/zinc/79/53/94/943795394.db2.gz MBDCLZFPGJUCIT-QGZVFWFLSA-N 1 2 424.499 4.078 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C3)cs1 ZINC000560854256 944358125 /nfs/dbraw/zinc/35/81/25/944358125.db2.gz GCBWSCOLTFOVME-AWEZNQCLSA-N 1 2 414.600 4.269 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C3)cs1 ZINC000560854256 944358129 /nfs/dbraw/zinc/35/81/29/944358129.db2.gz GCBWSCOLTFOVME-AWEZNQCLSA-N 1 2 414.600 4.269 20 30 HIEDLO COc1cc(C[NH2+][C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)ccc1C#N ZINC000570210673 947145999 /nfs/dbraw/zinc/14/59/99/947145999.db2.gz FRRQWFPXLIVJLM-DEOSSOPVSA-N 1 2 415.493 4.354 20 30 HIEDLO C[C@@H](c1ccc2ccccc2c1)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000570314676 947193798 /nfs/dbraw/zinc/19/37/98/947193798.db2.gz FUBAHJJBSVIHCI-KRWDZBQOSA-N 1 2 405.523 4.106 20 30 HIEDLO C[C@@H](c1ccc2ccccc2c1)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000570314676 947193819 /nfs/dbraw/zinc/19/38/19/947193819.db2.gz FUBAHJJBSVIHCI-KRWDZBQOSA-N 1 2 405.523 4.106 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1C#N ZINC000572131044 947848366 /nfs/dbraw/zinc/84/83/66/947848366.db2.gz DFIJXDJKROHSRY-IBGZPJMESA-N 1 2 420.488 4.185 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1C#N ZINC000572131044 947848367 /nfs/dbraw/zinc/84/83/67/947848367.db2.gz DFIJXDJKROHSRY-IBGZPJMESA-N 1 2 420.488 4.185 20 30 HIEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3ccc(C)cc3c(Cl)c2C#N)CC1 ZINC001164919102 721821961 /nfs/dbraw/zinc/82/19/61/721821961.db2.gz MBXBOQAUQUELAS-UHFFFAOYSA-N 1 2 420.948 4.014 20 30 HIEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2c(C#N)c(Cl)nc3cccc(C)c32)CC1 ZINC001164918561 721822206 /nfs/dbraw/zinc/82/22/06/721822206.db2.gz FVVDYVIHWVRNQW-UHFFFAOYSA-N 1 2 420.948 4.014 20 30 HIEDLO C=CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nnc1[C@H]1COc2ccccc2O1 ZINC000009155348 845561226 /nfs/dbraw/zinc/56/12/26/845561226.db2.gz VYEJUPHILBNQOS-LJQANCHMSA-N 1 2 419.510 4.225 20 30 HIEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000015037453 846002687 /nfs/dbraw/zinc/00/26/87/846002687.db2.gz SAEFFXZMFUTIKL-LJQANCHMSA-N 1 2 414.575 4.023 20 30 HIEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000015037453 846002690 /nfs/dbraw/zinc/00/26/90/846002690.db2.gz SAEFFXZMFUTIKL-LJQANCHMSA-N 1 2 414.575 4.023 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)Cc1cccs1 ZINC000015519210 846057060 /nfs/dbraw/zinc/05/70/60/846057060.db2.gz MOJBPSDKYSBKCH-UHFFFAOYSA-N 1 2 419.550 4.305 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)Cc1cccs1 ZINC000015519210 846057064 /nfs/dbraw/zinc/05/70/64/846057064.db2.gz MOJBPSDKYSBKCH-UHFFFAOYSA-N 1 2 419.550 4.305 20 30 HIEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1cccs1 ZINC000016395478 846164951 /nfs/dbraw/zinc/16/49/51/846164951.db2.gz AQEFBFGQXKPXTD-JOCHJYFZSA-N 1 2 400.544 4.021 20 30 HIEDLO C=CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1cccs1 ZINC000016395478 846164962 /nfs/dbraw/zinc/16/49/62/846164962.db2.gz AQEFBFGQXKPXTD-JOCHJYFZSA-N 1 2 400.544 4.021 20 30 HIEDLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781582 846620969 /nfs/dbraw/zinc/62/09/69/846620969.db2.gz HKUGMTGNZMCMJW-PMACEKPBSA-N 1 2 404.558 4.217 20 30 HIEDLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)Cc1cccc(C#N)c1 ZINC000026325869 847126547 /nfs/dbraw/zinc/12/65/47/847126547.db2.gz CJWXEMVPHLZWNL-IBGZPJMESA-N 1 2 404.495 4.022 20 30 HIEDLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)Cc1cccc(C#N)c1 ZINC000026325869 847126556 /nfs/dbraw/zinc/12/65/56/847126556.db2.gz CJWXEMVPHLZWNL-IBGZPJMESA-N 1 2 404.495 4.022 20 30 HIEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)n2)C1 ZINC000436453306 861809500 /nfs/dbraw/zinc/80/95/00/861809500.db2.gz OKYIINQKKNNVDT-CQSZACIVSA-N 1 2 407.499 4.154 20 30 HIEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)n2)C1 ZINC000436453306 861809501 /nfs/dbraw/zinc/80/95/01/861809501.db2.gz OKYIINQKKNNVDT-CQSZACIVSA-N 1 2 407.499 4.154 20 30 HIEDLO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000046225783 848807195 /nfs/dbraw/zinc/80/71/95/848807195.db2.gz QEMCOODJHVUMTI-FQEVSTJZSA-N 1 2 414.912 4.329 20 30 HIEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1 ZINC000051317353 849457865 /nfs/dbraw/zinc/45/78/65/849457865.db2.gz OMPSEFYLPWJOJL-UHFFFAOYSA-N 1 2 402.564 4.104 20 30 HIEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1 ZINC000051317353 849457868 /nfs/dbraw/zinc/45/78/68/849457868.db2.gz OMPSEFYLPWJOJL-UHFFFAOYSA-N 1 2 402.564 4.104 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1C ZINC000051379571 849464975 /nfs/dbraw/zinc/46/49/75/849464975.db2.gz YXXRDIHSWOZBAH-UHFFFAOYSA-N 1 2 403.526 4.145 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(Br)s1 ZINC000057642568 850685900 /nfs/dbraw/zinc/68/59/00/850685900.db2.gz MXOGXLWZXASUAB-AWEZNQCLSA-N 1 2 406.349 4.278 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000057642568 850685903 /nfs/dbraw/zinc/68/59/03/850685903.db2.gz MXOGXLWZXASUAB-AWEZNQCLSA-N 1 2 406.349 4.278 20 30 HIEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)cc1 ZINC000058580705 850861455 /nfs/dbraw/zinc/86/14/55/850861455.db2.gz FXMKGJSMXMTZEE-UHFFFAOYSA-N 1 2 423.601 4.465 20 30 HIEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)C1(C#N)CCCCC1 ZINC000108081000 852821227 /nfs/dbraw/zinc/82/12/27/852821227.db2.gz PTNOBUWOIROIRA-SFHVURJKSA-N 1 2 404.352 4.271 20 30 HIEDLO CN(C(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1)C1(C#N)CCCCC1 ZINC000108081000 852821231 /nfs/dbraw/zinc/82/12/31/852821231.db2.gz PTNOBUWOIROIRA-SFHVURJKSA-N 1 2 404.352 4.271 20 30 HIEDLO N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000108578375 852861873 /nfs/dbraw/zinc/86/18/73/852861873.db2.gz PVSUCUPJDOPITF-UHFFFAOYSA-N 1 2 402.385 4.307 20 30 HIEDLO COc1ccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 ZINC000108974733 852903214 /nfs/dbraw/zinc/90/32/14/852903214.db2.gz GBHQQWQQBUUMJT-UHFFFAOYSA-N 1 2 417.484 4.025 20 30 HIEDLO COc1ccc(CNC(=O)C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 ZINC000108974733 852903224 /nfs/dbraw/zinc/90/32/24/852903224.db2.gz GBHQQWQQBUUMJT-UHFFFAOYSA-N 1 2 417.484 4.025 20 30 HIEDLO NC(=[NH+]OCc1cc(-c2ccccc2)no1)c1ccc(OCc2cccnc2)cc1 ZINC000110267770 853081519 /nfs/dbraw/zinc/08/15/19/853081519.db2.gz DYKNQCSYFMZQNB-UHFFFAOYSA-N 1 2 400.438 4.153 20 30 HIEDLO Cc1oc(-c2ccccc2)nc1CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000110266245 853081598 /nfs/dbraw/zinc/08/15/98/853081598.db2.gz MSDZNWBMRHZHRH-UHFFFAOYSA-N 1 2 414.465 4.461 20 30 HIEDLO NC(=[NH+]OCc1cc(-c2cccs2)on1)c1ccc(OCc2cccnc2)cc1 ZINC000110265465 853081613 /nfs/dbraw/zinc/08/16/13/853081613.db2.gz CCSRWEQTCGNRHG-UHFFFAOYSA-N 1 2 406.467 4.214 20 30 HIEDLO CC(=O)c1ccccc1OCCO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000195737152 853786934 /nfs/dbraw/zinc/78/69/34/853786934.db2.gz LORSNCDZRDSQRT-UHFFFAOYSA-N 1 2 404.466 4.184 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c1C#N ZINC000217776662 853862372 /nfs/dbraw/zinc/86/23/72/853862372.db2.gz JWDGYRGIIOOUSH-JOCHJYFZSA-N 1 2 401.514 4.080 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c1C#N ZINC000217776662 853862376 /nfs/dbraw/zinc/86/23/76/853862376.db2.gz JWDGYRGIIOOUSH-JOCHJYFZSA-N 1 2 401.514 4.080 20 30 HIEDLO CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1[C@H](CC)[NH+](C)C ZINC000255928304 854218923 /nfs/dbraw/zinc/21/89/23/854218923.db2.gz OFBAJPLEZYUYOE-YJBOKZPZSA-N 1 2 414.579 4.082 20 30 HIEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301861730 854478486 /nfs/dbraw/zinc/47/84/86/854478486.db2.gz DWMUYLYRQNAMCQ-WBVHZDCISA-N 1 2 410.827 4.109 20 30 HIEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301861730 854478490 /nfs/dbraw/zinc/47/84/90/854478490.db2.gz DWMUYLYRQNAMCQ-WBVHZDCISA-N 1 2 410.827 4.109 20 30 HIEDLO NC(=[NH+]OCc1coc(-c2cccc(F)c2)n1)c1ccc(OCc2cccnc2)cc1 ZINC000302964217 854699366 /nfs/dbraw/zinc/69/93/66/854699366.db2.gz HAQIIODTUJPVMJ-UHFFFAOYSA-N 1 2 418.428 4.292 20 30 HIEDLO Cc1nc2ccc(C[NH+]3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2s1 ZINC000426030068 856058017 /nfs/dbraw/zinc/05/80/17/856058017.db2.gz RSDJJSORRYURIB-UHFFFAOYSA-N 1 2 405.483 4.047 20 30 HIEDLO CCCc1nc(C)c(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)o1 ZINC000428304745 857146792 /nfs/dbraw/zinc/14/67/92/857146792.db2.gz YVVRKLPDCYMYHZ-GOSISDBHSA-N 1 2 417.351 4.081 20 30 HIEDLO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000428783800 857336611 /nfs/dbraw/zinc/33/66/11/857336611.db2.gz KHUWMAYKSXDQBJ-GUYCJALGSA-N 1 2 423.460 4.429 20 30 HIEDLO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000428783800 857336618 /nfs/dbraw/zinc/33/66/18/857336618.db2.gz KHUWMAYKSXDQBJ-GUYCJALGSA-N 1 2 423.460 4.429 20 30 HIEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)nc1 ZINC000428793251 857342335 /nfs/dbraw/zinc/34/23/35/857342335.db2.gz JOXXEUFKFGPWBU-IBGZPJMESA-N 1 2 410.930 4.307 20 30 HIEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)nc1 ZINC000428793251 857342340 /nfs/dbraw/zinc/34/23/40/857342340.db2.gz JOXXEUFKFGPWBU-IBGZPJMESA-N 1 2 410.930 4.307 20 30 HIEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428922940 857417444 /nfs/dbraw/zinc/41/74/44/857417444.db2.gz BIYNDBUSROODJA-SUMWQHHRSA-N 1 2 423.460 4.429 20 30 HIEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428922940 857417449 /nfs/dbraw/zinc/41/74/49/857417449.db2.gz BIYNDBUSROODJA-SUMWQHHRSA-N 1 2 423.460 4.429 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2Cl)c1 ZINC000429436595 857667484 /nfs/dbraw/zinc/66/74/84/857667484.db2.gz XNJKSTBWLYAUON-SFHVURJKSA-N 1 2 421.888 4.124 20 30 HIEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000429501868 857700299 /nfs/dbraw/zinc/70/02/99/857700299.db2.gz BBCPYGMDKKZFBS-UHFFFAOYSA-N 1 2 400.482 4.350 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@H+](CCc2ccccn2)Cc2cccnc2)c2ccccc21 ZINC000430330434 858124348 /nfs/dbraw/zinc/12/43/48/858124348.db2.gz SYGIAPMVTWUHTR-UHFFFAOYSA-N 1 2 423.520 4.273 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@@H+](CCc2ccccn2)Cc2cccnc2)c2ccccc21 ZINC000430330434 858124353 /nfs/dbraw/zinc/12/43/53/858124353.db2.gz SYGIAPMVTWUHTR-UHFFFAOYSA-N 1 2 423.520 4.273 20 30 HIEDLO N#Cc1ccc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c(Br)c1 ZINC000430364608 858134657 /nfs/dbraw/zinc/13/46/57/858134657.db2.gz ZHRDDDYNFKHJLX-UHFFFAOYSA-N 1 2 407.315 4.356 20 30 HIEDLO N#Cc1ccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c(Br)c1 ZINC000430364608 858134664 /nfs/dbraw/zinc/13/46/64/858134664.db2.gz ZHRDDDYNFKHJLX-UHFFFAOYSA-N 1 2 407.315 4.356 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430919848 858370619 /nfs/dbraw/zinc/37/06/19/858370619.db2.gz SDUVZCZYZSLFEW-MJGOQNOKSA-N 1 2 423.582 4.159 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430919848 858370628 /nfs/dbraw/zinc/37/06/28/858370628.db2.gz SDUVZCZYZSLFEW-MJGOQNOKSA-N 1 2 423.582 4.159 20 30 HIEDLO N#Cc1cscc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000432403858 859147285 /nfs/dbraw/zinc/14/72/85/859147285.db2.gz SUYOMHDPURGUQO-UHFFFAOYSA-N 1 2 411.527 4.445 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000432965485 859453161 /nfs/dbraw/zinc/45/31/61/859453161.db2.gz NDYDIMWVDVJGHO-OAQYLSRUSA-N 1 2 415.541 4.256 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000432965485 859453168 /nfs/dbraw/zinc/45/31/68/859453168.db2.gz NDYDIMWVDVJGHO-OAQYLSRUSA-N 1 2 415.541 4.256 20 30 HIEDLO Cc1oc(NC(=O)C[N@H+](Cc2cccc(Br)c2)C2CC2)c(C#N)c1C ZINC000433284105 859615884 /nfs/dbraw/zinc/61/58/84/859615884.db2.gz FIOYWCXUPOJHAC-UHFFFAOYSA-N 1 2 402.292 4.134 20 30 HIEDLO Cc1oc(NC(=O)C[N@@H+](Cc2cccc(Br)c2)C2CC2)c(C#N)c1C ZINC000433284105 859615893 /nfs/dbraw/zinc/61/58/93/859615893.db2.gz FIOYWCXUPOJHAC-UHFFFAOYSA-N 1 2 402.292 4.134 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C#N ZINC000433596930 859802383 /nfs/dbraw/zinc/80/23/83/859802383.db2.gz RJKRXDZUHJUVLJ-UHFFFAOYSA-N 1 2 407.518 4.290 20 30 HIEDLO Cc1ccn(C2CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n1 ZINC000434506174 860378392 /nfs/dbraw/zinc/37/83/92/860378392.db2.gz BJUNPCWNEQKCDJ-INIZCTEOSA-N 1 2 411.575 4.058 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434678759 860456305 /nfs/dbraw/zinc/45/63/05/860456305.db2.gz KJPNKISEFDNTQO-GOSISDBHSA-N 1 2 412.603 4.064 20 30 HIEDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434836454 860514646 /nfs/dbraw/zinc/51/46/46/860514646.db2.gz NINPYVYKTUNRMT-OAQYLSRUSA-N 1 2 402.523 4.304 20 30 HIEDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434836454 860514649 /nfs/dbraw/zinc/51/46/49/860514649.db2.gz NINPYVYKTUNRMT-OAQYLSRUSA-N 1 2 402.523 4.304 20 30 HIEDLO N#CC1(c2ccc(C(=O)N(CCn3cc[nH+]c3)Cc3cccc(Cl)c3)cc2)CC1 ZINC000435333790 860744878 /nfs/dbraw/zinc/74/48/78/860744878.db2.gz TVNORCWBKFWJFW-UHFFFAOYSA-N 1 2 404.901 4.434 20 30 HIEDLO C[C@H](c1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000438009433 863370450 /nfs/dbraw/zinc/37/04/50/863370450.db2.gz IVARTWXQRWOTNS-YGOYIFOWSA-N 1 2 418.541 4.383 20 30 HIEDLO N#Cc1cc(NC(=O)NCCn2cc[nH+]c2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000438544073 863972659 /nfs/dbraw/zinc/97/26/59/863972659.db2.gz DJWYSKOTXVRYCD-UHFFFAOYSA-N 1 2 415.375 4.388 20 30 HIEDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)ccc1OCc1cccc(C#N)c1 ZINC000438560004 863992755 /nfs/dbraw/zinc/99/27/55/863992755.db2.gz UJGUEDPTMMLVCE-DEOSSOPVSA-N 1 2 404.466 4.312 20 30 HIEDLO COc1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)ccc1OCc1cccc(C#N)c1 ZINC000438560004 863992771 /nfs/dbraw/zinc/99/27/71/863992771.db2.gz UJGUEDPTMMLVCE-DEOSSOPVSA-N 1 2 404.466 4.312 20 30 HIEDLO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000438922165 864401123 /nfs/dbraw/zinc/40/11/23/864401123.db2.gz YAMPYODOHQKMOT-FQEVSTJZSA-N 1 2 404.558 4.281 20 30 HIEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000439779141 865102333 /nfs/dbraw/zinc/10/23/33/865102333.db2.gz CAWGHBXCIDQETR-MBSDFSHPSA-N 1 2 422.598 4.378 20 30 HIEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000439779141 865102340 /nfs/dbraw/zinc/10/23/40/865102340.db2.gz CAWGHBXCIDQETR-MBSDFSHPSA-N 1 2 422.598 4.378 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)C1 ZINC000441094972 866192416 /nfs/dbraw/zinc/19/24/16/866192416.db2.gz QVJDGZSWXPXNPU-OFNKIYASSA-N 1 2 420.557 4.346 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)C1 ZINC000441094972 866192436 /nfs/dbraw/zinc/19/24/36/866192436.db2.gz QVJDGZSWXPXNPU-OFNKIYASSA-N 1 2 420.557 4.346 20 30 HIEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nc2cc(-c3ccccc3)sc2c1=O ZINC000443484680 868066487 /nfs/dbraw/zinc/06/64/87/868066487.db2.gz MSWBBRBDRUWJRE-UHFFFAOYSA-N 1 2 406.536 4.581 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443652011 868250966 /nfs/dbraw/zinc/25/09/66/868250966.db2.gz LFNJJTNAYXZYPA-APWZRJJASA-N 1 2 415.896 4.268 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443652011 868250999 /nfs/dbraw/zinc/25/09/99/868250999.db2.gz LFNJJTNAYXZYPA-APWZRJJASA-N 1 2 415.896 4.268 20 30 HIEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000444589096 868892468 /nfs/dbraw/zinc/89/24/68/868892468.db2.gz IBFFFMWBZNSGCZ-UHFFFAOYSA-N 1 2 418.390 4.020 20 30 HIEDLO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000444646596 868928976 /nfs/dbraw/zinc/92/89/76/868928976.db2.gz ZZBSHANJIBIYPL-UHFFFAOYSA-N 1 2 418.562 4.422 20 30 HIEDLO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000444646596 868928982 /nfs/dbraw/zinc/92/89/82/868928982.db2.gz ZZBSHANJIBIYPL-UHFFFAOYSA-N 1 2 418.562 4.422 20 30 HIEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1OCCCC#N ZINC000446911196 870828604 /nfs/dbraw/zinc/82/86/04/870828604.db2.gz GKNXTLRVLNTLCH-UHFFFAOYSA-N 1 2 424.932 4.225 20 30 HIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447852522 871770829 /nfs/dbraw/zinc/77/08/29/871770829.db2.gz APGIUQHHPCZGGL-GOTSBHOMSA-N 1 2 413.525 4.260 20 30 HIEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447852522 871770853 /nfs/dbraw/zinc/77/08/53/871770853.db2.gz APGIUQHHPCZGGL-GOTSBHOMSA-N 1 2 413.525 4.260 20 30 HIEDLO CC(C)([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000447889502 871803332 /nfs/dbraw/zinc/80/33/32/871803332.db2.gz HSFABOPKDHXBOM-AWEZNQCLSA-N 1 2 408.449 4.054 20 30 HIEDLO CCC(CC)[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000460708646 873492963 /nfs/dbraw/zinc/49/29/63/873492963.db2.gz JSESHUBRFLFLKT-DEOSSOPVSA-N 1 2 421.541 4.213 20 30 HIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000462264543 875390816 /nfs/dbraw/zinc/39/08/16/875390816.db2.gz ATAFKBSRQWZKMD-LJQANCHMSA-N 1 2 416.550 4.454 20 30 HIEDLO N#Cc1cccc(OCCCCC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000468889283 882934199 /nfs/dbraw/zinc/93/41/99/882934199.db2.gz GXJQJATTYDGDJZ-UHFFFAOYSA-N 1 2 406.530 4.046 20 30 HIEDLO COc1cccc([C@H](C)CCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000468969217 883034929 /nfs/dbraw/zinc/03/49/29/883034929.db2.gz LLRUGHPNQQUJGX-HXUWFJFHSA-N 1 2 405.542 4.185 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000464560753 877778485 /nfs/dbraw/zinc/77/84/85/877778485.db2.gz OTOZDXPWNUXPAI-HXUWFJFHSA-N 1 2 416.525 4.376 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)c1C#N ZINC000464772591 878014824 /nfs/dbraw/zinc/01/48/24/878014824.db2.gz HXYQJGPAYNAHEE-UHFFFAOYSA-N 1 2 404.436 4.179 20 30 HIEDLO CC(C)c1ccc(-c2ncc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@H]3C)s2)cc1 ZINC000464855760 878134224 /nfs/dbraw/zinc/13/42/24/878134224.db2.gz IZLREKYMFZIODH-QGZVFWFLSA-N 1 2 418.570 4.306 20 30 HIEDLO CC(C)c1ccc(-c2ncc(C[N@H+]3CCN(c4nccnc4C#N)C[C@H]3C)s2)cc1 ZINC000464855760 878134231 /nfs/dbraw/zinc/13/42/31/878134231.db2.gz IZLREKYMFZIODH-QGZVFWFLSA-N 1 2 418.570 4.306 20 30 HIEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503407719 912389598 /nfs/dbraw/zinc/38/95/98/912389598.db2.gz OKXMXMMQZYNBJU-UHFFFAOYSA-N 1 2 404.333 4.200 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000467194823 880922700 /nfs/dbraw/zinc/92/27/00/880922700.db2.gz DJOUHNUAJFATDL-UHFFFAOYSA-N 1 2 423.520 4.464 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000467194823 880922713 /nfs/dbraw/zinc/92/27/13/880922713.db2.gz DJOUHNUAJFATDL-UHFFFAOYSA-N 1 2 423.520 4.464 20 30 HIEDLO C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469380886 883516985 /nfs/dbraw/zinc/51/69/85/883516985.db2.gz HPQQMQSNTJUETD-FDDCHVKYSA-N 1 2 400.482 4.057 20 30 HIEDLO C[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000469391900 883546687 /nfs/dbraw/zinc/54/66/87/883546687.db2.gz WUYDWNHGWFXYAB-AVRDEDQJSA-N 1 2 400.482 4.057 20 30 HIEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000469448555 883648870 /nfs/dbraw/zinc/64/88/70/883648870.db2.gz QPDXDFMGDDGMMA-PGRDOPGGSA-N 1 2 416.529 4.000 20 30 HIEDLO CCCC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000503773211 912820115 /nfs/dbraw/zinc/82/01/15/912820115.db2.gz YAWMGDFGDNZBBL-DEOSSOPVSA-N 1 2 420.557 4.326 20 30 HIEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000504069545 912970505 /nfs/dbraw/zinc/97/05/05/912970505.db2.gz HSZZREDNXMEGMR-QHCPKHFHSA-N 1 2 408.502 4.087 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471984293 886811660 /nfs/dbraw/zinc/81/16/60/886811660.db2.gz FXFYTWAQSVKUIV-MJGOQNOKSA-N 1 2 406.383 4.072 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471984293 886811669 /nfs/dbraw/zinc/81/16/69/886811669.db2.gz FXFYTWAQSVKUIV-MJGOQNOKSA-N 1 2 406.383 4.072 20 30 HIEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2s1 ZINC000504441166 913251814 /nfs/dbraw/zinc/25/18/14/913251814.db2.gz DVGODOHBSBHFOC-KRWDZBQOSA-N 1 2 404.539 4.361 20 30 HIEDLO C=CCC[C@@H](C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)c1ccccc1 ZINC000474280183 889145404 /nfs/dbraw/zinc/14/54/04/889145404.db2.gz VBBSNQJNTXJADO-XMMPIXPASA-N 1 2 405.542 4.039 20 30 HIEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000475348987 890271987 /nfs/dbraw/zinc/27/19/87/890271987.db2.gz VUFOBNULSVELDY-QFIPXVFZSA-N 1 2 419.916 4.305 20 30 HIEDLO C=C(C)[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)c(F)c1 ZINC000476869253 891831981 /nfs/dbraw/zinc/83/19/81/891831981.db2.gz LBHFMUKOYTZSCY-FQEVSTJZSA-N 1 2 400.404 4.406 20 30 HIEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000477066167 891999840 /nfs/dbraw/zinc/99/98/40/891999840.db2.gz NJAULTRFHXOIRA-CQGGRAHPSA-N 1 2 407.539 4.168 20 30 HIEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000477066167 891999851 /nfs/dbraw/zinc/99/98/51/891999851.db2.gz NJAULTRFHXOIRA-CQGGRAHPSA-N 1 2 407.539 4.168 20 30 HIEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000478416273 893707470 /nfs/dbraw/zinc/70/74/70/893707470.db2.gz JUBGJNOWOQVEEA-UHFFFAOYSA-N 1 2 410.461 4.261 20 30 HIEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000478416273 893707504 /nfs/dbraw/zinc/70/75/04/893707504.db2.gz JUBGJNOWOQVEEA-UHFFFAOYSA-N 1 2 410.461 4.261 20 30 HIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479770473 895071871 /nfs/dbraw/zinc/07/18/71/895071871.db2.gz DYMWEIDTLKVFHB-FCHUYYIVSA-N 1 2 412.484 4.203 20 30 HIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479770473 895071891 /nfs/dbraw/zinc/07/18/91/895071891.db2.gz DYMWEIDTLKVFHB-FCHUYYIVSA-N 1 2 412.484 4.203 20 30 HIEDLO Cc1ccc2c(ncc(C#N)c2N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1Br ZINC000480092144 895455276 /nfs/dbraw/zinc/45/52/76/895455276.db2.gz LLBYZYJNJHVCOP-CXAGYDPISA-N 1 2 410.319 4.461 20 30 HIEDLO N#Cc1c(C#N)c(N2CCC(CCCn3cc[nH+]c3)CC2)nc2c1CCCCCC2 ZINC000480114823 895487591 /nfs/dbraw/zinc/48/75/91/895487591.db2.gz FNOBFTLOTPYDIT-UHFFFAOYSA-N 1 2 402.546 4.377 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)NCCCNc3cccc[nH+]3)cc2F)c1 ZINC000481594604 896973479 /nfs/dbraw/zinc/97/34/79/896973479.db2.gz HEQIHLCQXQLFQF-UHFFFAOYSA-N 1 2 419.460 4.295 20 30 HIEDLO COc1ccccc1[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC000505557674 914260893 /nfs/dbraw/zinc/26/08/93/914260893.db2.gz LMLOTUCMEHKVSO-QHCPKHFHSA-N 1 2 412.493 4.097 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000483245812 898888293 /nfs/dbraw/zinc/88/82/93/898888293.db2.gz RIZIZTLUQADTKN-HNNXBMFYSA-N 1 2 407.436 4.099 20 30 HIEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000483249762 898891732 /nfs/dbraw/zinc/89/17/32/898891732.db2.gz KMHXOPAPAQMJFK-FQEVSTJZSA-N 1 2 414.509 4.487 20 30 HIEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000505604952 914308294 /nfs/dbraw/zinc/30/82/94/914308294.db2.gz CRKFABJUSHCLHL-LJQANCHMSA-N 1 2 414.351 4.001 20 30 HIEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000505626588 914325228 /nfs/dbraw/zinc/32/52/28/914325228.db2.gz UWSUWBAENSWDCZ-QHCPKHFHSA-N 1 2 416.525 4.115 20 30 HIEDLO CCc1c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1C(CC)CC ZINC000485147293 900447045 /nfs/dbraw/zinc/44/70/45/900447045.db2.gz CUSOBRYMCNNQGO-UHFFFAOYSA-N 1 2 408.550 4.028 20 30 HIEDLO N#CCCN(C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(Cl)c1 ZINC000490051419 903743744 /nfs/dbraw/zinc/74/37/44/903743744.db2.gz CFPHGDLTQBVFRA-UHFFFAOYSA-N 1 2 412.877 4.159 20 30 HIEDLO N#CCCN(C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(Cl)c1 ZINC000490051419 903743748 /nfs/dbraw/zinc/74/37/48/903743748.db2.gz CFPHGDLTQBVFRA-UHFFFAOYSA-N 1 2 412.877 4.159 20 30 HIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490265379 903864345 /nfs/dbraw/zinc/86/43/45/903864345.db2.gz ZQRNFLCCOVRCOQ-NQIIRXRSSA-N 1 2 414.456 4.191 20 30 HIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490265379 903864348 /nfs/dbraw/zinc/86/43/48/903864348.db2.gz ZQRNFLCCOVRCOQ-NQIIRXRSSA-N 1 2 414.456 4.191 20 30 HIEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000512478853 921187710 /nfs/dbraw/zinc/18/77/10/921187710.db2.gz FIWIZCNMEGVZPN-UHFFFAOYSA-N 1 2 412.415 4.169 20 30 HIEDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000494770557 905967687 /nfs/dbraw/zinc/96/76/87/905967687.db2.gz OHJRESDTONUQMQ-AWEZNQCLSA-N 1 2 421.482 4.049 20 30 HIEDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000494770557 905967707 /nfs/dbraw/zinc/96/77/07/905967707.db2.gz OHJRESDTONUQMQ-AWEZNQCLSA-N 1 2 421.482 4.049 20 30 HIEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806087 921315187 /nfs/dbraw/zinc/31/51/87/921315187.db2.gz QGTRKLIQAGDEJW-CQSZACIVSA-N 1 2 401.869 4.221 20 30 HIEDLO C=CCOc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000499169217 908522275 /nfs/dbraw/zinc/52/22/75/908522275.db2.gz MBVGWBBDINZANG-NHCUHLMSSA-N 1 2 415.921 4.098 20 30 HIEDLO C=CCOc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000499169217 908522288 /nfs/dbraw/zinc/52/22/88/908522288.db2.gz MBVGWBBDINZANG-NHCUHLMSSA-N 1 2 415.921 4.098 20 30 HIEDLO C=CCn1c(SCCCn2cc[nH+]c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000499470463 908808457 /nfs/dbraw/zinc/80/84/57/908808457.db2.gz NQLLVKFCCHUSKF-CQSZACIVSA-N 1 2 400.573 4.148 20 30 HIEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000500091863 909569058 /nfs/dbraw/zinc/56/90/58/909569058.db2.gz MQFTVZMXDMDKJK-MOPGFXCFSA-N 1 2 419.312 4.058 20 30 HIEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000500091863 909569069 /nfs/dbraw/zinc/56/90/69/909569069.db2.gz MQFTVZMXDMDKJK-MOPGFXCFSA-N 1 2 419.312 4.058 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000513119244 921564329 /nfs/dbraw/zinc/56/43/29/921564329.db2.gz WEZPSUSWOKFPJQ-UHFFFAOYSA-N 1 2 422.488 4.312 20 30 HIEDLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000502253060 911209217 /nfs/dbraw/zinc/20/92/17/911209217.db2.gz MACMIZHYIJNIEN-ZHLHJBDRSA-N 1 2 411.427 4.454 20 30 HIEDLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000502253060 911209245 /nfs/dbraw/zinc/20/92/45/911209245.db2.gz MACMIZHYIJNIEN-ZHLHJBDRSA-N 1 2 411.427 4.454 20 30 HIEDLO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1)C1CCCC1 ZINC000502300125 911257844 /nfs/dbraw/zinc/25/78/44/911257844.db2.gz IWJZYVOQMMSSHS-IBGZPJMESA-N 1 2 410.949 4.423 20 30 HIEDLO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1)C1CCCC1 ZINC000502300125 911257876 /nfs/dbraw/zinc/25/78/76/911257876.db2.gz IWJZYVOQMMSSHS-IBGZPJMESA-N 1 2 410.949 4.423 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507234284 915992795 /nfs/dbraw/zinc/99/27/95/915992795.db2.gz PZSUPOMQVISSGW-IIBYNOLFSA-N 1 2 423.582 4.461 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507234284 915992806 /nfs/dbraw/zinc/99/28/06/915992806.db2.gz PZSUPOMQVISSGW-IIBYNOLFSA-N 1 2 423.582 4.461 20 30 HIEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507787657 916571991 /nfs/dbraw/zinc/57/19/91/916571991.db2.gz TUTRDYSVHKYDLU-UHFFFAOYSA-N 1 2 413.905 4.011 20 30 HIEDLO O=C(NCC#Cc1ccccc1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000508122008 916939522 /nfs/dbraw/zinc/93/95/22/916939522.db2.gz YWYAYCOBCJJXQQ-UHFFFAOYSA-N 1 2 420.516 4.449 20 30 HIEDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cccc(OCCCC#N)c1)CC3 ZINC000508532731 917313733 /nfs/dbraw/zinc/31/37/33/917313733.db2.gz UXPOFFUVRUXJMX-UHFFFAOYSA-N 1 2 403.482 4.195 20 30 HIEDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cccc(OCCCC#N)c1)CC3 ZINC000508532731 917313742 /nfs/dbraw/zinc/31/37/42/917313742.db2.gz UXPOFFUVRUXJMX-UHFFFAOYSA-N 1 2 403.482 4.195 20 30 HIEDLO N#Cc1ccc(C[N@@H+](CC(=O)NCc2ccc(F)cc2)Cc2cccc(F)c2)cc1 ZINC000511705483 920370035 /nfs/dbraw/zinc/37/00/35/920370035.db2.gz DZWQFFUGZVAZKN-UHFFFAOYSA-N 1 2 405.448 4.155 20 30 HIEDLO N#Cc1ccc(C[N@H+](CC(=O)NCc2ccc(F)cc2)Cc2cccc(F)c2)cc1 ZINC000511705483 920370054 /nfs/dbraw/zinc/37/00/54/920370054.db2.gz DZWQFFUGZVAZKN-UHFFFAOYSA-N 1 2 405.448 4.155 20 30 HIEDLO N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000511765158 920449752 /nfs/dbraw/zinc/44/97/52/920449752.db2.gz MWWVRBQJQHKSPH-MRXNPFEDSA-N 1 2 406.288 4.399 20 30 HIEDLO N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000511765158 920449760 /nfs/dbraw/zinc/44/97/60/920449760.db2.gz MWWVRBQJQHKSPH-MRXNPFEDSA-N 1 2 406.288 4.399 20 30 HIEDLO CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000512214281 920960146 /nfs/dbraw/zinc/96/01/46/920960146.db2.gz RDLOXWQCGRICHO-GOSISDBHSA-N 1 2 415.497 4.007 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000512226944 920979604 /nfs/dbraw/zinc/97/96/04/920979604.db2.gz KRGOSBYNUGJZBK-HNNXBMFYSA-N 1 2 406.910 4.148 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000512226944 920979619 /nfs/dbraw/zinc/97/96/19/920979619.db2.gz KRGOSBYNUGJZBK-HNNXBMFYSA-N 1 2 406.910 4.148 20 30 HIEDLO C=CCOc1ccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000513596240 921927136 /nfs/dbraw/zinc/92/71/36/921927136.db2.gz YPFFEEAQZCUMMD-INIZCTEOSA-N 1 2 400.548 4.262 20 30 HIEDLO C=CCOc1ccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000513596240 921927167 /nfs/dbraw/zinc/92/71/67/921927167.db2.gz YPFFEEAQZCUMMD-INIZCTEOSA-N 1 2 400.548 4.262 20 30 HIEDLO C[C@@H](c1nnc(Sc2ncc(C#N)cc2Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000513645155 921968238 /nfs/dbraw/zinc/96/82/38/921968238.db2.gz IOWGYSOGUSPYPH-NSHDSACASA-N 1 2 402.886 4.100 20 30 HIEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cn2c1 ZINC000513693701 922015136 /nfs/dbraw/zinc/01/51/36/922015136.db2.gz IKBNUYLDLDNAAT-QGZVFWFLSA-N 1 2 418.444 4.276 20 30 HIEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CC[NH2+][C@H](c4cccc(Cl)c4)C3)cc2)nc1 ZINC000513993348 922316624 /nfs/dbraw/zinc/31/66/24/922316624.db2.gz ALMVQOLCFNYIMG-NRFANRHFSA-N 1 2 418.884 4.186 20 30 HIEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc(-c4ccc(Cl)cc4)n3)C2=O)cc1 ZINC000515229329 923005894 /nfs/dbraw/zinc/00/58/94/923005894.db2.gz CZLLUDQSOLZVDL-FQEVSTJZSA-N 1 2 422.941 4.226 20 30 HIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)n2)cc1 ZINC000517056976 923979083 /nfs/dbraw/zinc/97/90/83/923979083.db2.gz IARPQWDQZKYYPD-MRXNPFEDSA-N 1 2 412.497 4.422 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000517530013 924248630 /nfs/dbraw/zinc/24/86/30/924248630.db2.gz JPESUIRLIYGZFI-SFHVURJKSA-N 1 2 424.570 4.235 20 30 HIEDLO C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000519645998 928035690 /nfs/dbraw/zinc/03/56/90/928035690.db2.gz CEFVRXTVKJVQCW-UHFFFAOYSA-N 1 2 410.525 4.002 20 30 HIEDLO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](C)c1ccccc1Br ZINC000520169010 928359093 /nfs/dbraw/zinc/35/90/93/928359093.db2.gz PDMSYDBUJAAIQK-MRXNPFEDSA-N 1 2 414.347 4.410 20 30 HIEDLO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](C)c1ccccc1Br ZINC000520169010 928359104 /nfs/dbraw/zinc/35/91/04/928359104.db2.gz PDMSYDBUJAAIQK-MRXNPFEDSA-N 1 2 414.347 4.410 20 30 HIEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)c1 ZINC000521148391 929025871 /nfs/dbraw/zinc/02/58/71/929025871.db2.gz FNNCVYDTRKHLFF-QHCPKHFHSA-N 1 2 407.876 4.346 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cccc(CC#N)c1 ZINC000521479525 929242754 /nfs/dbraw/zinc/24/27/54/929242754.db2.gz MPYBHSFSZWFIAN-UHFFFAOYSA-N 1 2 402.498 4.081 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532571309 931533740 /nfs/dbraw/zinc/53/37/40/931533740.db2.gz FQMXVGFEHMQYFP-INIZCTEOSA-N 1 2 415.603 4.497 20 30 HIEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000532911210 931690311 /nfs/dbraw/zinc/69/03/11/931690311.db2.gz BNHMDLUZNYBUIV-UHFFFAOYSA-N 1 2 414.296 4.121 20 30 HIEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000532911210 931690317 /nfs/dbraw/zinc/69/03/17/931690317.db2.gz BNHMDLUZNYBUIV-UHFFFAOYSA-N 1 2 414.296 4.121 20 30 HIEDLO CC(C)CCOC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000533250949 931819290 /nfs/dbraw/zinc/81/92/90/931819290.db2.gz IWZISKKVKJNVMY-UHFFFAOYSA-N 1 2 403.592 4.354 20 30 HIEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533424539 931864117 /nfs/dbraw/zinc/86/41/17/931864117.db2.gz BPJXLOGBGKKILN-HNNXBMFYSA-N 1 2 413.905 4.091 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000534204437 932329663 /nfs/dbraw/zinc/32/96/63/932329663.db2.gz MCAAZEQNTCLCQD-UHFFFAOYSA-N 1 2 413.525 4.023 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000534204437 932329670 /nfs/dbraw/zinc/32/96/70/932329670.db2.gz MCAAZEQNTCLCQD-UHFFFAOYSA-N 1 2 413.525 4.023 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000534218987 932338395 /nfs/dbraw/zinc/33/83/95/932338395.db2.gz BSOPRRWYWCKDJW-QGZVFWFLSA-N 1 2 405.477 4.131 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000534218987 932338405 /nfs/dbraw/zinc/33/84/05/932338405.db2.gz BSOPRRWYWCKDJW-QGZVFWFLSA-N 1 2 405.477 4.131 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534421787 932440648 /nfs/dbraw/zinc/44/06/48/932440648.db2.gz ZJRDBDCSYXQUSX-WOJBJXKFSA-N 1 2 415.896 4.070 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534421787 932440664 /nfs/dbraw/zinc/44/06/64/932440664.db2.gz ZJRDBDCSYXQUSX-WOJBJXKFSA-N 1 2 415.896 4.070 20 30 HIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535210783 933018106 /nfs/dbraw/zinc/01/81/06/933018106.db2.gz IKDXCGLOUAOBRM-SFHVURJKSA-N 1 2 401.470 4.414 20 30 HIEDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000535213954 933019771 /nfs/dbraw/zinc/01/97/71/933019771.db2.gz AYPIDZSIBLOCLD-HXUWFJFHSA-N 1 2 417.553 4.242 20 30 HIEDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000535213954 933019775 /nfs/dbraw/zinc/01/97/75/933019775.db2.gz AYPIDZSIBLOCLD-HXUWFJFHSA-N 1 2 417.553 4.242 20 30 HIEDLO C=C[C@H](CC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1)c1ccccc1 ZINC000535474522 933165932 /nfs/dbraw/zinc/16/59/32/933165932.db2.gz IEOCOUJNJFRWQP-LJQANCHMSA-N 1 2 422.960 4.382 20 30 HIEDLO C=C[C@H](CC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1)c1ccccc1 ZINC000535474522 933165943 /nfs/dbraw/zinc/16/59/43/933165943.db2.gz IEOCOUJNJFRWQP-LJQANCHMSA-N 1 2 422.960 4.382 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000535667651 933313605 /nfs/dbraw/zinc/31/36/05/933313605.db2.gz MEHBCIKSOLNBEP-IBGZPJMESA-N 1 2 401.514 4.051 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000535667651 933313623 /nfs/dbraw/zinc/31/36/23/933313623.db2.gz MEHBCIKSOLNBEP-IBGZPJMESA-N 1 2 401.514 4.051 20 30 HIEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000563275519 945166599 /nfs/dbraw/zinc/16/65/99/945166599.db2.gz MGUDWSDUCSZKFN-CQSZACIVSA-N 1 2 417.387 4.346 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000538280563 938582367 /nfs/dbraw/zinc/58/23/67/938582367.db2.gz UTELSXLTDGETBD-AWEZNQCLSA-N 1 2 420.916 4.095 20 30 HIEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000539700513 938906039 /nfs/dbraw/zinc/90/60/39/938906039.db2.gz DFRJCHFUIZGIKS-QUCCMNQESA-N 1 2 400.885 4.008 20 30 HIEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000539700513 938906042 /nfs/dbraw/zinc/90/60/42/938906042.db2.gz DFRJCHFUIZGIKS-QUCCMNQESA-N 1 2 400.885 4.008 20 30 HIEDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539820021 938943126 /nfs/dbraw/zinc/94/31/26/938943126.db2.gz YNDBANLUUQRUQX-UHFFFAOYSA-N 1 2 420.534 4.173 20 30 HIEDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539820021 938943135 /nfs/dbraw/zinc/94/31/35/938943135.db2.gz YNDBANLUUQRUQX-UHFFFAOYSA-N 1 2 420.534 4.173 20 30 HIEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541194059 939485142 /nfs/dbraw/zinc/48/51/42/939485142.db2.gz NCQJKQRLEPVDKU-UHFFFAOYSA-N 1 2 418.463 4.155 20 30 HIEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000541387051 939503113 /nfs/dbraw/zinc/50/31/13/939503113.db2.gz VAOLRAONDRHPTF-UHFFFAOYSA-N 1 2 413.525 4.272 20 30 HIEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000541387051 939503116 /nfs/dbraw/zinc/50/31/16/939503116.db2.gz VAOLRAONDRHPTF-UHFFFAOYSA-N 1 2 413.525 4.272 20 30 HIEDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000541632406 939576835 /nfs/dbraw/zinc/57/68/35/939576835.db2.gz DEVVREASNTYKOV-JOYOIKCWSA-N 1 2 400.426 4.311 20 30 HIEDLO C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542051254 939699542 /nfs/dbraw/zinc/69/95/42/939699542.db2.gz MBCBJUIDIBQFRM-SFHVURJKSA-N 1 2 413.525 4.361 20 30 HIEDLO Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)cc[nH+]1 ZINC000542655907 939851951 /nfs/dbraw/zinc/85/19/51/939851951.db2.gz BVFACUOUSYAKFL-XZOQPEGZSA-N 1 2 411.509 4.309 20 30 HIEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C2CC2)cc1 ZINC000544111260 940328801 /nfs/dbraw/zinc/32/88/01/940328801.db2.gz PHIWDVICQHFTOT-UHFFFAOYSA-N 1 2 420.513 4.348 20 30 HIEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C2CC2)cc1 ZINC000544111260 940328806 /nfs/dbraw/zinc/32/88/06/940328806.db2.gz PHIWDVICQHFTOT-UHFFFAOYSA-N 1 2 420.513 4.348 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000544485697 940452469 /nfs/dbraw/zinc/45/24/69/940452469.db2.gz PYVUGVFNXKSAGW-MRXNPFEDSA-N 1 2 414.575 4.437 20 30 HIEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000545220130 940556750 /nfs/dbraw/zinc/55/67/50/940556750.db2.gz TUKKQSWHAPCRPX-UHFFFAOYSA-N 1 2 404.426 4.256 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000547292326 941053928 /nfs/dbraw/zinc/05/39/28/941053928.db2.gz GHGXJMCZCUGNCL-HNNXBMFYSA-N 1 2 410.315 4.437 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000547292326 941053933 /nfs/dbraw/zinc/05/39/33/941053933.db2.gz GHGXJMCZCUGNCL-HNNXBMFYSA-N 1 2 410.315 4.437 20 30 HIEDLO C=C(C)Cn1c(Cc2cccc3ccccc32)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549248875 941174018 /nfs/dbraw/zinc/17/40/18/941174018.db2.gz ZTNVUOGLUPJKJV-UHFFFAOYSA-N 1 2 424.552 4.320 20 30 HIEDLO CN(CC(F)(F)F)C(=O)C[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551412341 941473263 /nfs/dbraw/zinc/47/32/63/941473263.db2.gz WDSQOXHVYJUDPB-UHFFFAOYSA-N 1 2 410.280 4.177 20 30 HIEDLO CN(CC(F)(F)F)C(=O)C[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551412341 941473267 /nfs/dbraw/zinc/47/32/67/941473267.db2.gz WDSQOXHVYJUDPB-UHFFFAOYSA-N 1 2 410.280 4.177 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000551735706 941536050 /nfs/dbraw/zinc/53/60/50/941536050.db2.gz PBQSOTLGPUMDIM-QGZVFWFLSA-N 1 2 412.534 4.233 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554847853 942284385 /nfs/dbraw/zinc/28/43/85/942284385.db2.gz GFGAEFNFTSHFQN-WBMJQRKESA-N 1 2 411.493 4.490 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554847853 942284394 /nfs/dbraw/zinc/28/43/94/942284394.db2.gz GFGAEFNFTSHFQN-WBMJQRKESA-N 1 2 411.493 4.490 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555482220 942585027 /nfs/dbraw/zinc/58/50/27/942585027.db2.gz VXKSGTCVPNDKFA-UXHICEINSA-N 1 2 412.896 4.084 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555482220 942585043 /nfs/dbraw/zinc/58/50/43/942585043.db2.gz VXKSGTCVPNDKFA-UXHICEINSA-N 1 2 412.896 4.084 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000557716535 943267726 /nfs/dbraw/zinc/26/77/26/943267726.db2.gz SJZDYUJYPZVFIJ-UHFFFAOYSA-N 1 2 409.449 4.029 20 30 HIEDLO N#Cc1cc(Oc2ccc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)ccn1 ZINC000558512038 943581986 /nfs/dbraw/zinc/58/19/86/943581986.db2.gz QGKYNGBMNNNERO-UHFFFAOYSA-N 1 2 410.437 4.253 20 30 HIEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1)C1(C#N)CCCCC1 ZINC000559144129 943853355 /nfs/dbraw/zinc/85/33/55/943853355.db2.gz STTHFNLEVYBAFD-SFHVURJKSA-N 1 2 404.352 4.271 20 30 HIEDLO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1)C1(C#N)CCCCC1 ZINC000559144129 943853358 /nfs/dbraw/zinc/85/33/58/943853358.db2.gz STTHFNLEVYBAFD-SFHVURJKSA-N 1 2 404.352 4.271 20 30 HIEDLO N#C[C@@H](C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000561972320 944881982 /nfs/dbraw/zinc/88/19/82/944881982.db2.gz CMPRYOGLZRBQOL-IBGZPJMESA-N 1 2 420.563 4.244 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000567440058 946342578 /nfs/dbraw/zinc/34/25/78/946342578.db2.gz ZYCDSSLIPLVVPP-DEOSSOPVSA-N 1 2 416.502 4.457 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000568147864 946482585 /nfs/dbraw/zinc/48/25/85/946482585.db2.gz ZCZJKCMSUPVBDG-RDJZCZTQSA-N 1 2 420.328 4.437 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000568147864 946482590 /nfs/dbraw/zinc/48/25/90/946482590.db2.gz ZCZJKCMSUPVBDG-RDJZCZTQSA-N 1 2 420.328 4.437 20 30 HIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000569054331 946811316 /nfs/dbraw/zinc/81/13/16/946811316.db2.gz HKWSEZUJKZLBBR-UHFFFAOYSA-N 1 2 412.852 4.310 20 30 HIEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000571010205 947433323 /nfs/dbraw/zinc/43/33/23/947433323.db2.gz VCBCZBLFFLUMHQ-UHFFFAOYSA-N 1 2 403.255 4.456 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000573909423 948326345 /nfs/dbraw/zinc/32/63/45/948326345.db2.gz UMHFSWLXPJZIIC-SNVBAGLBSA-N 1 2 400.454 4.320 20 30 HIEDLO N#Cc1ccc(C2(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)CC2)cc1 ZINC000435940709 861204272 /nfs/dbraw/zinc/20/42/72/861204272.db2.gz SEGKPJIVZJPLLT-UHFFFAOYSA-N 1 2 414.534 4.243 20 30 HIEDLO N#Cc1ccc(C2(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)CC2)cc1 ZINC000435940709 861204295 /nfs/dbraw/zinc/20/42/95/861204295.db2.gz SEGKPJIVZJPLLT-UHFFFAOYSA-N 1 2 414.534 4.243 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2cccs2)c1C#N ZINC000008533499 845535262 /nfs/dbraw/zinc/53/52/62/845535262.db2.gz USXLDDHTQVQCNA-UHFFFAOYSA-N 1 2 410.518 4.296 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2cccs2)c1C#N ZINC000008533499 845535263 /nfs/dbraw/zinc/53/52/63/845535263.db2.gz USXLDDHTQVQCNA-UHFFFAOYSA-N 1 2 410.518 4.296 20 30 HIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000018939409 846345779 /nfs/dbraw/zinc/34/57/79/846345779.db2.gz RNZIHFHFHRLFSC-UHFFFAOYSA-N 1 2 424.751 4.360 20 30 HIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000018939409 846345792 /nfs/dbraw/zinc/34/57/92/846345792.db2.gz RNZIHFHFHRLFSC-UHFFFAOYSA-N 1 2 424.751 4.360 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1cccs1 ZINC000019540652 846367421 /nfs/dbraw/zinc/36/74/21/846367421.db2.gz ACELUGIRRBXDFD-UHFFFAOYSA-N 1 2 408.527 4.306 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1cccs1 ZINC000019540652 846367433 /nfs/dbraw/zinc/36/74/33/846367433.db2.gz ACELUGIRRBXDFD-UHFFFAOYSA-N 1 2 408.527 4.306 20 30 HIEDLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781562 846619341 /nfs/dbraw/zinc/61/93/41/846619341.db2.gz HKUGMTGNZMCMJW-WOJBJXKFSA-N 1 2 404.558 4.217 20 30 HIEDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)c(C)c1 ZINC000026638906 847178890 /nfs/dbraw/zinc/17/88/90/847178890.db2.gz KNYHDWNHCINMKS-UHFFFAOYSA-N 1 2 403.526 4.145 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3OC3CCCC3)CC2)cc1 ZINC000047599998 849081784 /nfs/dbraw/zinc/08/17/84/849081784.db2.gz QUPKGXSQNDFBEB-UHFFFAOYSA-N 1 2 404.514 4.229 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(OCC(C)C)CC2)c1C#N ZINC000054325731 849848896 /nfs/dbraw/zinc/84/88/96/849848896.db2.gz CPFPPLHIPPVJCI-UHFFFAOYSA-N 1 2 408.546 4.041 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000055184293 849983865 /nfs/dbraw/zinc/98/38/65/849983865.db2.gz AMDZUIBZNNFOID-UHFFFAOYSA-N 1 2 412.493 4.062 20 30 HIEDLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000057622758 850681927 /nfs/dbraw/zinc/68/19/27/850681927.db2.gz RVGZRKTVOYAZEC-LJQANCHMSA-N 1 2 421.541 4.177 20 30 HIEDLO CCOc1cc2c(cc1OCC)C[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000057622758 850681947 /nfs/dbraw/zinc/68/19/47/850681947.db2.gz RVGZRKTVOYAZEC-LJQANCHMSA-N 1 2 421.541 4.177 20 30 HIEDLO Cc1occc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000063559658 851713787 /nfs/dbraw/zinc/71/37/87/851713787.db2.gz IMFPCVYPMFWWTO-UHFFFAOYSA-N 1 2 408.477 4.136 20 30 HIEDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000063559658 851713797 /nfs/dbraw/zinc/71/37/97/851713797.db2.gz IMFPCVYPMFWWTO-UHFFFAOYSA-N 1 2 408.477 4.136 20 30 HIEDLO CCN(C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000063754418 851756418 /nfs/dbraw/zinc/75/64/18/851756418.db2.gz CDGBFWASUGTTCG-UHFFFAOYSA-N 1 2 401.510 4.213 20 30 HIEDLO CCN(C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000063754418 851756423 /nfs/dbraw/zinc/75/64/23/851756423.db2.gz CDGBFWASUGTTCG-UHFFFAOYSA-N 1 2 401.510 4.213 20 30 HIEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000104770799 852676039 /nfs/dbraw/zinc/67/60/39/852676039.db2.gz PHMDSWOXCRSUCD-HNNXBMFYSA-N 1 2 417.340 4.010 20 30 HIEDLO Cc1ccc(C)c(OCCCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000108985826 852904414 /nfs/dbraw/zinc/90/44/14/852904414.db2.gz RWXYZJDRMOENOH-UHFFFAOYSA-N 1 2 405.542 4.069 20 30 HIEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3cc(-c4ccc(C)cc4)no3)c2)n1 ZINC000110182456 853070682 /nfs/dbraw/zinc/07/06/82/853070682.db2.gz WKZNKFMXLVGFDV-UHFFFAOYSA-N 1 2 415.497 4.349 20 30 HIEDLO CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1[C@H](CC)[NH+](C)C ZINC000255928303 854219116 /nfs/dbraw/zinc/21/91/16/854219116.db2.gz OFBAJPLEZYUYOE-QAPCUYQASA-N 1 2 414.579 4.082 20 30 HIEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c(F)c1 ZINC000301142090 854309172 /nfs/dbraw/zinc/30/91/72/854309172.db2.gz ISUNPAKIJATIBI-UHFFFAOYSA-N 1 2 405.452 4.170 20 30 HIEDLO Cc1cc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)n2c3ccccc3nc2c1C#N ZINC000302178356 854544239 /nfs/dbraw/zinc/54/42/39/854544239.db2.gz DAFFFTJACFODOX-INIZCTEOSA-N 1 2 402.527 4.007 20 30 HIEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000302179666 854544282 /nfs/dbraw/zinc/54/42/82/854544282.db2.gz DMZQDIXUOWIVAQ-AWEZNQCLSA-N 1 2 415.291 4.112 20 30 HIEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000303504122 854993249 /nfs/dbraw/zinc/99/32/49/854993249.db2.gz BBCMLJKQHAALJT-QGZVFWFLSA-N 1 2 407.543 4.368 20 30 HIEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000303504122 854993257 /nfs/dbraw/zinc/99/32/57/854993257.db2.gz BBCMLJKQHAALJT-QGZVFWFLSA-N 1 2 407.543 4.368 20 30 HIEDLO N#Cc1ccc(OCc2cccc(C(=O)NCCCCNc3cccc[nH+]3)c2)cc1 ZINC000303577029 855052634 /nfs/dbraw/zinc/05/26/34/855052634.db2.gz CTXWXJZERZYBDJ-UHFFFAOYSA-N 1 2 400.482 4.154 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303646268 855101252 /nfs/dbraw/zinc/10/12/52/855101252.db2.gz COVPEHMAAAZQQB-LBPRGKRZSA-N 1 2 414.415 4.468 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303646268 855101256 /nfs/dbraw/zinc/10/12/56/855101256.db2.gz COVPEHMAAAZQQB-LBPRGKRZSA-N 1 2 414.415 4.468 20 30 HIEDLO N#Cc1cccc(OCCCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410321697 855927798 /nfs/dbraw/zinc/92/77/98/855927798.db2.gz AELNQLBQFMQXKF-FQEVSTJZSA-N 1 2 406.530 4.046 20 30 HIEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426095597 856104557 /nfs/dbraw/zinc/10/45/57/856104557.db2.gz FWVRAMCZCHLCGM-IRLDBZIGSA-N 1 2 401.470 4.204 20 30 HIEDLO COc1cccc(OC)c1OC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437420683 862791744 /nfs/dbraw/zinc/79/17/44/862791744.db2.gz SSQRLBYIDGYEII-UHFFFAOYSA-N 1 2 418.440 4.220 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(c3ncccc3Cl)CC2)c1 ZINC000429210467 857556037 /nfs/dbraw/zinc/55/60/37/857556037.db2.gz TUCQOBJVALPLFN-UHFFFAOYSA-N 1 2 410.949 4.478 20 30 HIEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nc2scc(-c3cccs3)c2c1=O ZINC000430089754 858027089 /nfs/dbraw/zinc/02/70/89/858027089.db2.gz NTOAJRMTFSIFPT-UHFFFAOYSA-N 1 2 412.565 4.642 20 30 HIEDLO N#CCCC[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000431817045 858826040 /nfs/dbraw/zinc/82/60/40/858826040.db2.gz BLDYJICGCCWDJF-QFIPXVFZSA-N 1 2 401.514 4.208 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434678760 860455788 /nfs/dbraw/zinc/45/57/88/860455788.db2.gz KJPNKISEFDNTQO-SFHVURJKSA-N 1 2 412.603 4.064 20 30 HIEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000434720881 860469573 /nfs/dbraw/zinc/46/95/73/860469573.db2.gz YSOWFAVMCUSZEF-QHCPKHFHSA-N 1 2 403.482 4.142 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(OC(F)F)c1 ZINC000437893382 863261131 /nfs/dbraw/zinc/26/11/31/863261131.db2.gz CWSYUXQBTBRFCO-UHFFFAOYSA-N 1 2 403.385 4.111 20 30 HIEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439263161 864680303 /nfs/dbraw/zinc/68/03/03/864680303.db2.gz WRZPQLOGQRHSCA-YWZLYKJASA-N 1 2 406.368 4.071 20 30 HIEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)cs1 ZINC000439590226 864913275 /nfs/dbraw/zinc/91/32/75/864913275.db2.gz AMJVDVMXMFALPP-CQSZACIVSA-N 1 2 424.492 4.453 20 30 HIEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)cs1 ZINC000439590226 864913281 /nfs/dbraw/zinc/91/32/81/864913281.db2.gz AMJVDVMXMFALPP-CQSZACIVSA-N 1 2 424.492 4.453 20 30 HIEDLO COc1cc(C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)ccc1C#N ZINC000442806398 867681305 /nfs/dbraw/zinc/68/13/05/867681305.db2.gz BRJKFJQNANBSNY-UHFFFAOYSA-N 1 2 404.539 4.008 20 30 HIEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000443115202 867825489 /nfs/dbraw/zinc/82/54/89/867825489.db2.gz MLKRQHUBRBTCLY-QUCCMNQESA-N 1 2 401.869 4.010 20 30 HIEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000443115202 867825498 /nfs/dbraw/zinc/82/54/98/867825498.db2.gz MLKRQHUBRBTCLY-QUCCMNQESA-N 1 2 401.869 4.010 20 30 HIEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000443115199 867826083 /nfs/dbraw/zinc/82/60/83/867826083.db2.gz MLKRQHUBRBTCLY-ICSRJNTNSA-N 1 2 401.869 4.010 20 30 HIEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000443115199 867826089 /nfs/dbraw/zinc/82/60/89/867826089.db2.gz MLKRQHUBRBTCLY-ICSRJNTNSA-N 1 2 401.869 4.010 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443652613 868249716 /nfs/dbraw/zinc/24/97/16/868249716.db2.gz LFNJJTNAYXZYPA-QFBILLFUSA-N 1 2 415.896 4.268 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443652613 868249738 /nfs/dbraw/zinc/24/97/38/868249738.db2.gz LFNJJTNAYXZYPA-QFBILLFUSA-N 1 2 415.896 4.268 20 30 HIEDLO Cc1cc(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1Cc1ccco1 ZINC000444050333 868589066 /nfs/dbraw/zinc/58/90/66/868589066.db2.gz OUMSUKUYHXIHSY-UHFFFAOYSA-N 1 2 416.525 4.013 20 30 HIEDLO Cc1cc(C(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1Cc1ccco1 ZINC000444050333 868589075 /nfs/dbraw/zinc/58/90/75/868589075.db2.gz OUMSUKUYHXIHSY-UHFFFAOYSA-N 1 2 416.525 4.013 20 30 HIEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444681519 868957150 /nfs/dbraw/zinc/95/71/50/868957150.db2.gz QSTPVLOIAKEMKV-FQEVSTJZSA-N 1 2 400.482 4.412 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000445176727 869260881 /nfs/dbraw/zinc/26/08/81/869260881.db2.gz RYFSTFRQKZJOFU-QGZVFWFLSA-N 1 2 401.470 4.496 20 30 HIEDLO N#Cc1c(F)cccc1Oc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000445823559 869845379 /nfs/dbraw/zinc/84/53/79/869845379.db2.gz GSBJDGUVKRSFTE-IIBYNOLFSA-N 1 2 420.444 4.465 20 30 HIEDLO N#Cc1c(F)cccc1Oc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000445823559 869845383 /nfs/dbraw/zinc/84/53/83/869845383.db2.gz GSBJDGUVKRSFTE-IIBYNOLFSA-N 1 2 420.444 4.465 20 30 HIEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000447343507 871244538 /nfs/dbraw/zinc/24/45/38/871244538.db2.gz YDVVKQIPCLZRBX-QRQCRPRQSA-N 1 2 417.525 4.374 20 30 HIEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000448520674 872508361 /nfs/dbraw/zinc/50/83/61/872508361.db2.gz OIFTXCQWYWLLTA-HNNXBMFYSA-N 1 2 402.420 4.488 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1C#N ZINC000460354683 872976620 /nfs/dbraw/zinc/97/66/20/872976620.db2.gz AUXLYLPNQONSGN-KSFYIVLOSA-N 1 2 417.513 4.035 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1C#N ZINC000460354683 872976633 /nfs/dbraw/zinc/97/66/33/872976633.db2.gz AUXLYLPNQONSGN-KSFYIVLOSA-N 1 2 417.513 4.035 20 30 HIEDLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cccc(C#N)c1 ZINC000461800382 874914008 /nfs/dbraw/zinc/91/40/08/874914008.db2.gz YCCNEGFSJBAEPY-MRXNPFEDSA-N 1 2 402.523 4.315 20 30 HIEDLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cccc(C#N)c1 ZINC000461800382 874914017 /nfs/dbraw/zinc/91/40/17/874914017.db2.gz YCCNEGFSJBAEPY-MRXNPFEDSA-N 1 2 402.523 4.315 20 30 HIEDLO COc1ccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc2Cl)c(C)c1 ZINC000462172123 875267524 /nfs/dbraw/zinc/26/75/24/875267524.db2.gz SRGJSEKXALOXGN-PKTZIBPZSA-N 1 2 411.933 4.145 20 30 HIEDLO COc1ccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccccc2Cl)c(C)c1 ZINC000462175635 875274848 /nfs/dbraw/zinc/27/48/48/875274848.db2.gz LCYOJIYKBZCUNJ-XZOQPEGZSA-N 1 2 413.949 4.391 20 30 HIEDLO C[C@H](c1ccsc1)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000463057686 876086706 /nfs/dbraw/zinc/08/67/06/876086706.db2.gz RXYFNUSZGUJQGB-LJQANCHMSA-N 1 2 405.571 4.404 20 30 HIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000463094378 876127367 /nfs/dbraw/zinc/12/73/67/876127367.db2.gz APVKNPCWNNRLFF-KRWDZBQOSA-N 1 2 418.522 4.326 20 30 HIEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000463295873 876357207 /nfs/dbraw/zinc/35/72/07/876357207.db2.gz QETLHGKZPGXAMH-UHFFFAOYSA-N 1 2 402.535 4.181 20 30 HIEDLO NC(=O)[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000463745299 876867558 /nfs/dbraw/zinc/86/75/58/876867558.db2.gz MHWLPTQRULMDAC-GDBMZVCRSA-N 1 2 424.316 4.014 20 30 HIEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000464497153 877716614 /nfs/dbraw/zinc/71/66/14/877716614.db2.gz XVGXTUSNWBUERA-ROUUACIJSA-N 1 2 417.575 4.073 20 30 HIEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000464497153 877716619 /nfs/dbraw/zinc/71/66/19/877716619.db2.gz XVGXTUSNWBUERA-ROUUACIJSA-N 1 2 417.575 4.073 20 30 HIEDLO CCCCOC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000464855364 878133086 /nfs/dbraw/zinc/13/30/86/878133086.db2.gz HHISFQZDBHYGHA-UHFFFAOYSA-N 1 2 422.573 4.245 20 30 HIEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000465572413 879046270 /nfs/dbraw/zinc/04/62/70/879046270.db2.gz XYTZPZPBDOVTQG-YADHBBJMSA-N 1 2 403.530 4.053 20 30 HIEDLO C[C@H](c1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1)[NH+]1CCOCC1 ZINC000503455503 912479775 /nfs/dbraw/zinc/47/97/75/912479775.db2.gz BAWHTMGIWBAKIA-LJQANCHMSA-N 1 2 416.525 4.273 20 30 HIEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000469368929 883493396 /nfs/dbraw/zinc/49/33/96/883493396.db2.gz GAKGTQHTRNRYMH-DNQXCXABSA-N 1 2 401.510 4.196 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469380889 883515330 /nfs/dbraw/zinc/51/53/30/883515330.db2.gz HPQQMQSNTJUETD-WZONZLPQSA-N 1 2 400.482 4.057 20 30 HIEDLO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469451990 883652681 /nfs/dbraw/zinc/65/26/81/883652681.db2.gz IHJWUTSGDYAXJI-IBGZPJMESA-N 1 2 401.491 4.398 20 30 HIEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](c2ccsc2)O1 ZINC000470199420 884509617 /nfs/dbraw/zinc/50/96/17/884509617.db2.gz YTBNHLYJPRQTMB-KSSFIOAISA-N 1 2 415.584 4.351 20 30 HIEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](c2ccsc2)O1 ZINC000470199420 884509639 /nfs/dbraw/zinc/50/96/39/884509639.db2.gz YTBNHLYJPRQTMB-KSSFIOAISA-N 1 2 415.584 4.351 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470909393 885416824 /nfs/dbraw/zinc/41/68/24/885416824.db2.gz RCAQRBQPHZSCSK-SFHVURJKSA-N 1 2 413.518 4.061 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470909393 885416829 /nfs/dbraw/zinc/41/68/29/885416829.db2.gz RCAQRBQPHZSCSK-SFHVURJKSA-N 1 2 413.518 4.061 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473156850 887935577 /nfs/dbraw/zinc/93/55/77/887935577.db2.gz AIOMULXXLDHHTH-HXOBKFHXSA-N 1 2 407.539 4.008 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473156850 887935582 /nfs/dbraw/zinc/93/55/82/887935582.db2.gz AIOMULXXLDHHTH-HXOBKFHXSA-N 1 2 407.539 4.008 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000474590146 889459934 /nfs/dbraw/zinc/45/99/34/889459934.db2.gz QUAGULMHZVCXOE-UHFFFAOYSA-N 1 2 402.404 4.056 20 30 HIEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000475279635 890177228 /nfs/dbraw/zinc/17/72/28/890177228.db2.gz LWNZXUAQGIXLKE-UHFFFAOYSA-N 1 2 420.488 4.118 20 30 HIEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000475752224 890698247 /nfs/dbraw/zinc/69/82/47/890698247.db2.gz ZLDRMFIPHLFMQS-LJQANCHMSA-N 1 2 424.520 4.120 20 30 HIEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000475752224 890698256 /nfs/dbraw/zinc/69/82/56/890698256.db2.gz ZLDRMFIPHLFMQS-LJQANCHMSA-N 1 2 424.520 4.120 20 30 HIEDLO CCCc1c(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cnn1-c1cccc(C#N)c1 ZINC000476934805 891878058 /nfs/dbraw/zinc/87/80/58/891878058.db2.gz WVHTZHACZJIRFM-KRWDZBQOSA-N 1 2 416.529 4.287 20 30 HIEDLO CCCc1c(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cnn1-c1cccc(C#N)c1 ZINC000476934805 891878062 /nfs/dbraw/zinc/87/80/62/891878062.db2.gz WVHTZHACZJIRFM-KRWDZBQOSA-N 1 2 416.529 4.287 20 30 HIEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000477066160 892000049 /nfs/dbraw/zinc/00/00/49/892000049.db2.gz NJAULTRFHXOIRA-ADKRDUOOSA-N 1 2 407.539 4.168 20 30 HIEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000477066160 892000061 /nfs/dbraw/zinc/00/00/61/892000061.db2.gz NJAULTRFHXOIRA-ADKRDUOOSA-N 1 2 407.539 4.168 20 30 HIEDLO Cc1nc([C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)oc1-c1ccc(Cl)cc1 ZINC000477163116 892084450 /nfs/dbraw/zinc/08/44/50/892084450.db2.gz MNKFUFIDHJRBMK-INIZCTEOSA-N 1 2 407.905 4.453 20 30 HIEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c(OC)c1 ZINC000477461356 892425598 /nfs/dbraw/zinc/42/55/98/892425598.db2.gz VVBQJLYQYRMRJZ-IBGZPJMESA-N 1 2 409.530 4.088 20 30 HIEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c(OC)c1 ZINC000477461356 892425624 /nfs/dbraw/zinc/42/56/24/892425624.db2.gz VVBQJLYQYRMRJZ-IBGZPJMESA-N 1 2 409.530 4.088 20 30 HIEDLO N#Cc1cccc(OCCCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000477544504 892586290 /nfs/dbraw/zinc/58/62/90/892586290.db2.gz KFXDMSSQGNOHIO-UHFFFAOYSA-N 1 2 419.554 4.296 20 30 HIEDLO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479391835 894695413 /nfs/dbraw/zinc/69/54/13/894695413.db2.gz NGIOFRUWUAFSDD-YVEFUNNKSA-N 1 2 412.342 4.336 20 30 HIEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)c1 ZINC000479496941 894815899 /nfs/dbraw/zinc/81/58/99/894815899.db2.gz AFPNBZJKUZVPCM-UHFFFAOYSA-N 1 2 410.930 4.226 20 30 HIEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3c(C#N)cnc4ccc(C(C)C)cc43)CC2)no1 ZINC000480220956 895624826 /nfs/dbraw/zinc/62/48/26/895624826.db2.gz FSBMIYCDFISEDB-FQEVSTJZSA-N 1 2 418.545 4.412 20 30 HIEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3c(C#N)cnc4ccc(C(C)C)cc43)CC2)no1 ZINC000480220956 895624835 /nfs/dbraw/zinc/62/48/35/895624835.db2.gz FSBMIYCDFISEDB-FQEVSTJZSA-N 1 2 418.545 4.412 20 30 HIEDLO C=C(C)Cn1c(SCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)nnc1-c1ccco1 ZINC000480505675 895873628 /nfs/dbraw/zinc/87/36/28/895873628.db2.gz IWFDNHQFCIDGCI-UHFFFAOYSA-N 1 2 420.498 4.031 20 30 HIEDLO COc1cc(OC)cc([C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)c2nccn2C)c1 ZINC000481914175 897297521 /nfs/dbraw/zinc/29/75/21/897297521.db2.gz RXQCIGZOCYIGTD-BJKOFHAPSA-N 1 2 416.525 4.456 20 30 HIEDLO N#Cc1ccccc1COc1cccc(CNc2cc(CSCCO)cc[nH+]2)c1 ZINC000482624872 898227966 /nfs/dbraw/zinc/22/79/66/898227966.db2.gz TZYXFPDVHVVXII-UHFFFAOYSA-N 1 2 405.523 4.370 20 30 HIEDLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000482863316 898474530 /nfs/dbraw/zinc/47/45/30/898474530.db2.gz ZHJOSAUFQWENIC-MRXNPFEDSA-N 1 2 406.461 4.276 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000483061412 898739329 /nfs/dbraw/zinc/73/93/29/898739329.db2.gz BVZRPSMYABIUTO-UHFFFAOYSA-N 1 2 400.454 4.464 20 30 HIEDLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)Cc1ccccc1C(C)(C)C#N ZINC000483349604 898985068 /nfs/dbraw/zinc/98/50/68/898985068.db2.gz YOKONBMHVMIBLP-UHFFFAOYSA-N 1 2 424.346 4.463 20 30 HIEDLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)Cc1ccccc1C(C)(C)C#N ZINC000483349604 898985085 /nfs/dbraw/zinc/98/50/85/898985085.db2.gz YOKONBMHVMIBLP-UHFFFAOYSA-N 1 2 424.346 4.463 20 30 HIEDLO N#CC1(C(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)CCCC1 ZINC000483885944 899561682 /nfs/dbraw/zinc/56/16/82/899561682.db2.gz XQEAKTAMKVYCLL-UHFFFAOYSA-N 1 2 417.553 4.021 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000484067058 899700046 /nfs/dbraw/zinc/70/00/46/899700046.db2.gz CDBUQDFNKYMTBG-UHFFFAOYSA-N 1 2 412.484 4.334 20 30 HIEDLO C[C@@H]([NH2+][C@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000490042827 903738314 /nfs/dbraw/zinc/73/83/14/903738314.db2.gz JTTJTBWGXLMUIY-RKDXNWHRSA-N 1 2 402.829 4.365 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)C[NH+]1CCC(n3cc(Cl)cn3)CC1)CCCCC2 ZINC000506051602 914749461 /nfs/dbraw/zinc/74/94/61/914749461.db2.gz MVLRUOJLSLFSPN-UHFFFAOYSA-N 1 2 417.966 4.014 20 30 HIEDLO C=CC[N@H+](Cc1cc(C#N)ccc1Br)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000492465884 904854056 /nfs/dbraw/zinc/85/40/56/904854056.db2.gz WWIUEMLXDPLOHV-HNNXBMFYSA-N 1 2 423.318 4.046 20 30 HIEDLO C=CC[N@@H+](Cc1cc(C#N)ccc1Br)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000492465884 904854057 /nfs/dbraw/zinc/85/40/57/904854057.db2.gz WWIUEMLXDPLOHV-HNNXBMFYSA-N 1 2 423.318 4.046 20 30 HIEDLO C=C(C)C[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccc(CO)o1 ZINC000512438601 921163617 /nfs/dbraw/zinc/16/36/17/921163617.db2.gz HMCXKUNCKOWHDK-VWLOTQADSA-N 1 2 402.343 4.265 20 30 HIEDLO C=C(C)C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccc(CO)o1 ZINC000512438601 921163622 /nfs/dbraw/zinc/16/36/22/921163622.db2.gz HMCXKUNCKOWHDK-VWLOTQADSA-N 1 2 402.343 4.265 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494650742 905884047 /nfs/dbraw/zinc/88/40/47/905884047.db2.gz PBLNTONFAYWSJT-RDJZCZTQSA-N 1 2 401.576 4.107 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494650742 905884055 /nfs/dbraw/zinc/88/40/55/905884055.db2.gz PBLNTONFAYWSJT-RDJZCZTQSA-N 1 2 401.576 4.107 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000512507094 921205560 /nfs/dbraw/zinc/20/55/60/921205560.db2.gz UTFQJAYEHWEUOB-SFHVURJKSA-N 1 2 416.541 4.037 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000512507094 921205570 /nfs/dbraw/zinc/20/55/70/921205570.db2.gz UTFQJAYEHWEUOB-SFHVURJKSA-N 1 2 416.541 4.037 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC2)c(F)c1 ZINC000512812099 921317982 /nfs/dbraw/zinc/31/79/82/921317982.db2.gz POKDKIOVEGDTCZ-UHFFFAOYSA-N 1 2 412.852 4.444 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)c(F)c1 ZINC000512843585 921345426 /nfs/dbraw/zinc/34/54/26/921345426.db2.gz HWYFCQIPQDCFES-UHFFFAOYSA-N 1 2 414.387 4.069 20 30 HIEDLO C=CCN(Cc1ccccc1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000499156040 908512911 /nfs/dbraw/zinc/51/29/11/908512911.db2.gz GCCHFIFLBMXIHF-VXKWHMMOSA-N 1 2 413.949 4.110 20 30 HIEDLO C=CCN(Cc1ccccc1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000499156040 908512940 /nfs/dbraw/zinc/51/29/40/908512940.db2.gz GCCHFIFLBMXIHF-VXKWHMMOSA-N 1 2 413.949 4.110 20 30 HIEDLO COc1cccc(C2(F)CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)c1 ZINC000500174309 909665384 /nfs/dbraw/zinc/66/53/84/909665384.db2.gz VCSCCMYREVOMLN-UHFFFAOYSA-N 1 2 413.518 4.210 20 30 HIEDLO Cc1ccc2[nH+]c(CSCC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cn2c1 ZINC000500310537 909772174 /nfs/dbraw/zinc/77/21/74/909772174.db2.gz ALURJACWCZLLAT-UHFFFAOYSA-N 1 2 406.555 4.432 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)CC2)cc1 ZINC000502504606 911508644 /nfs/dbraw/zinc/50/86/44/911508644.db2.gz AUDATHBJXOQUDE-UHFFFAOYSA-N 1 2 411.259 4.253 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nnc(-c4ccc(Br)o4)o3)CC2)cc1 ZINC000502504606 911508670 /nfs/dbraw/zinc/50/86/70/911508670.db2.gz AUDATHBJXOQUDE-UHFFFAOYSA-N 1 2 411.259 4.253 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502531688 911537201 /nfs/dbraw/zinc/53/72/01/911537201.db2.gz RDUPZTOBDKTANE-OAHLLOKOSA-N 1 2 402.523 4.096 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502531688 911537219 /nfs/dbraw/zinc/53/72/19/911537219.db2.gz RDUPZTOBDKTANE-OAHLLOKOSA-N 1 2 402.523 4.096 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc4sc5c(c4c(N)n3)CCCC5)CC2)cc1 ZINC000502539732 911543940 /nfs/dbraw/zinc/54/39/40/911543940.db2.gz JAEKGKWPNTXBEW-UHFFFAOYSA-N 1 2 401.539 4.313 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc4sc5c(c4c(N)n3)CCCC5)CC2)cc1 ZINC000502539732 911543962 /nfs/dbraw/zinc/54/39/62/911543962.db2.gz JAEKGKWPNTXBEW-UHFFFAOYSA-N 1 2 401.539 4.313 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccnn3CC3CCCCC3)CC2)cc1 ZINC000502542477 911549263 /nfs/dbraw/zinc/54/92/63/911549263.db2.gz CSIWJROUGFVJNK-UHFFFAOYSA-N 1 2 403.530 4.063 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccnn3CC3CCCCC3)CC2)cc1 ZINC000502542477 911549271 /nfs/dbraw/zinc/54/92/71/911549271.db2.gz CSIWJROUGFVJNK-UHFFFAOYSA-N 1 2 403.530 4.063 20 30 HIEDLO COc1cccc([C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)c1 ZINC000513414307 921784106 /nfs/dbraw/zinc/78/41/06/921784106.db2.gz CXPXNYNSSWNOOM-QHCPKHFHSA-N 1 2 402.498 4.046 20 30 HIEDLO COc1cccc([C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)c1 ZINC000513414307 921784111 /nfs/dbraw/zinc/78/41/11/921784111.db2.gz CXPXNYNSSWNOOM-QHCPKHFHSA-N 1 2 402.498 4.046 20 30 HIEDLO N#Cc1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cnc1C(F)(F)F ZINC000508000325 916841571 /nfs/dbraw/zinc/84/15/71/916841571.db2.gz RFKZBUJKTMTXGW-UHFFFAOYSA-N 1 2 411.387 4.424 20 30 HIEDLO N#Cc1cccc(CNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000508141425 916962787 /nfs/dbraw/zinc/96/27/87/916962787.db2.gz HGVXFXTXBUHNFH-UHFFFAOYSA-N 1 2 421.504 4.469 20 30 HIEDLO N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000510426071 918890509 /nfs/dbraw/zinc/89/05/09/918890509.db2.gz FUBDHVPVXDPRTR-GOSISDBHSA-N 1 2 400.507 4.113 20 30 HIEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000510750795 919201882 /nfs/dbraw/zinc/20/18/82/919201882.db2.gz OAOHHRKRAGOIFA-UHFFFAOYSA-N 1 2 400.482 4.172 20 30 HIEDLO Clc1ccc(C#CCN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510938730 919466212 /nfs/dbraw/zinc/46/62/12/919466212.db2.gz UKTZJKWIXDPQNX-UHFFFAOYSA-N 1 2 418.722 4.446 20 30 HIEDLO CCCCOc1ccc(OC)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000511202251 919815962 /nfs/dbraw/zinc/81/59/62/919815962.db2.gz VXULTGKMKWFJLE-UHFFFAOYSA-N 1 2 422.529 4.095 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512184877 920928487 /nfs/dbraw/zinc/92/84/87/920928487.db2.gz YZYYWKDDXVCDRE-UHFFFAOYSA-N 1 2 408.527 4.128 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512184877 920928498 /nfs/dbraw/zinc/92/84/98/920928498.db2.gz YZYYWKDDXVCDRE-UHFFFAOYSA-N 1 2 408.527 4.128 20 30 HIEDLO CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000512214282 920960541 /nfs/dbraw/zinc/96/05/41/920960541.db2.gz RDLOXWQCGRICHO-SFHVURJKSA-N 1 2 415.497 4.007 20 30 HIEDLO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)o1 ZINC000513998873 922323212 /nfs/dbraw/zinc/32/32/12/922323212.db2.gz HKGROZOIMVPDOR-HXUWFJFHSA-N 1 2 421.884 4.170 20 30 HIEDLO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc(OC)c1 ZINC000514096999 922421893 /nfs/dbraw/zinc/42/18/93/922421893.db2.gz ZCDATPFMNDQFNO-UHFFFAOYSA-N 1 2 415.921 4.044 20 30 HIEDLO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc(OC)c1 ZINC000514096999 922421956 /nfs/dbraw/zinc/42/19/56/922421956.db2.gz ZCDATPFMNDQFNO-UHFFFAOYSA-N 1 2 415.921 4.044 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000514240781 922580159 /nfs/dbraw/zinc/58/01/59/922580159.db2.gz CPMUQXMKVJDHCO-UHFFFAOYSA-N 1 2 408.527 4.222 20 30 HIEDLO N#Cc1cccc(OCCCCC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC000514695026 922762107 /nfs/dbraw/zinc/76/21/07/922762107.db2.gz MVAYPNMMSSPICO-UHFFFAOYSA-N 1 2 408.889 4.263 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1C#N ZINC000515437618 923099770 /nfs/dbraw/zinc/09/97/70/923099770.db2.gz JTKGWDXRAHRWGB-SFHVURJKSA-N 1 2 420.488 4.185 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](c3ccccc3F)C2)c1C#N ZINC000515437618 923099783 /nfs/dbraw/zinc/09/97/83/923099783.db2.gz JTKGWDXRAHRWGB-SFHVURJKSA-N 1 2 420.488 4.185 20 30 HIEDLO N#CCCSc1ccccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000517443127 924193013 /nfs/dbraw/zinc/19/30/13/924193013.db2.gz NVMHFWRMAIPVPO-UHFFFAOYSA-N 1 2 419.510 4.170 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000517530011 924248370 /nfs/dbraw/zinc/24/83/70/924248370.db2.gz JPESUIRLIYGZFI-GOSISDBHSA-N 1 2 424.570 4.235 20 30 HIEDLO C=CC[N@H+](Cc1cc(F)ccc1Br)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520936466 928881280 /nfs/dbraw/zinc/88/12/80/928881280.db2.gz BDTSSPOCZJCIHC-CQSZACIVSA-N 1 2 416.298 4.313 20 30 HIEDLO C=CC[N@@H+](Cc1cc(F)ccc1Br)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520936466 928881285 /nfs/dbraw/zinc/88/12/85/928881285.db2.gz BDTSSPOCZJCIHC-CQSZACIVSA-N 1 2 416.298 4.313 20 30 HIEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)c1 ZINC000521148389 929025435 /nfs/dbraw/zinc/02/54/35/929025435.db2.gz FNNCVYDTRKHLFF-HSZRJFAPSA-N 1 2 407.876 4.346 20 30 HIEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(OC)cc1OC ZINC000521817952 929476408 /nfs/dbraw/zinc/47/64/08/929476408.db2.gz BKAUVKJRCCPODC-UHFFFAOYSA-N 1 2 409.530 4.089 20 30 HIEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(OC)cc1OC ZINC000521817952 929476414 /nfs/dbraw/zinc/47/64/14/929476414.db2.gz BKAUVKJRCCPODC-UHFFFAOYSA-N 1 2 409.530 4.089 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cccc(CC#N)c2)cc1 ZINC000524654523 929767359 /nfs/dbraw/zinc/76/73/59/929767359.db2.gz RSAUWIZHOMXTHQ-UHFFFAOYSA-N 1 2 402.498 4.081 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000524666330 929781244 /nfs/dbraw/zinc/78/12/44/929781244.db2.gz ZWNJNJVLDKXRTQ-OAHLLOKOSA-N 1 2 417.431 4.447 20 30 HIEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000531650433 931140145 /nfs/dbraw/zinc/14/01/45/931140145.db2.gz AWDMCNLDPLDHEE-JTQLQIEISA-N 1 2 418.328 4.301 20 30 HIEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000531650433 931140151 /nfs/dbraw/zinc/14/01/51/931140151.db2.gz AWDMCNLDPLDHEE-JTQLQIEISA-N 1 2 418.328 4.301 20 30 HIEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc(OC)c1 ZINC000532491386 931458842 /nfs/dbraw/zinc/45/88/42/931458842.db2.gz ZDYDYEGIYRKHPH-MRXNPFEDSA-N 1 2 413.543 4.169 20 30 HIEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc(OC)c1 ZINC000532491386 931458846 /nfs/dbraw/zinc/45/88/46/931458846.db2.gz ZDYDYEGIYRKHPH-MRXNPFEDSA-N 1 2 413.543 4.169 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1=O ZINC000532625137 931557748 /nfs/dbraw/zinc/55/77/48/931557748.db2.gz JXNHDNORUDQZDY-DOTOQJQBSA-N 1 2 408.552 4.214 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1=O ZINC000532625137 931557757 /nfs/dbraw/zinc/55/77/57/931557757.db2.gz JXNHDNORUDQZDY-DOTOQJQBSA-N 1 2 408.552 4.214 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000532944179 931706368 /nfs/dbraw/zinc/70/63/68/931706368.db2.gz FVMBDNCLIFPTHO-QGZVFWFLSA-N 1 2 401.576 4.443 20 30 HIEDLO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000532972760 931721502 /nfs/dbraw/zinc/72/15/02/931721502.db2.gz SYXSTXBOVKCLHA-CQSZACIVSA-N 1 2 403.935 4.175 20 30 HIEDLO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000532972760 931721511 /nfs/dbraw/zinc/72/15/11/931721511.db2.gz SYXSTXBOVKCLHA-CQSZACIVSA-N 1 2 403.935 4.175 20 30 HIEDLO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 ZINC000533289498 931828908 /nfs/dbraw/zinc/82/89/08/931828908.db2.gz NBFROIPHMFOKNT-HXUWFJFHSA-N 1 2 403.486 4.201 20 30 HIEDLO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 ZINC000533289498 931828914 /nfs/dbraw/zinc/82/89/14/931828914.db2.gz NBFROIPHMFOKNT-HXUWFJFHSA-N 1 2 403.486 4.201 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000533345800 931843556 /nfs/dbraw/zinc/84/35/56/931843556.db2.gz APFZZFYYMDBYTC-MRXNPFEDSA-N 1 2 408.571 4.036 20 30 HIEDLO C[C@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)N(CCC#N)c1ccccc1 ZINC000535233504 933031117 /nfs/dbraw/zinc/03/11/17/933031117.db2.gz JYMAZFPOKMIVLF-IBGZPJMESA-N 1 2 411.509 4.349 20 30 HIEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000535968322 933530689 /nfs/dbraw/zinc/53/06/89/933530689.db2.gz AOOSBDBPCHDANC-KRWDZBQOSA-N 1 2 417.469 4.114 20 30 HIEDLO N#CCCn1cc(CNc2ccccc2OCCn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000536100738 933654210 /nfs/dbraw/zinc/65/42/10/933654210.db2.gz AKJQXURQXDKORM-UHFFFAOYSA-N 1 2 412.497 4.351 20 30 HIEDLO CCN(C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1)CC(F)(F)F ZINC000563269206 945165419 /nfs/dbraw/zinc/16/54/19/945165419.db2.gz UCEMJNGYMPCQSF-CYBMUJFWSA-N 1 2 404.274 4.027 20 30 HIEDLO CCN(C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1)CC(F)(F)F ZINC000563269206 945165423 /nfs/dbraw/zinc/16/54/23/945165423.db2.gz UCEMJNGYMPCQSF-CYBMUJFWSA-N 1 2 404.274 4.027 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C3)cs1 ZINC000537895804 938403386 /nfs/dbraw/zinc/40/33/86/938403386.db2.gz BLNVRAOFLFKHJK-ZDUSSCGKSA-N 1 2 408.552 4.437 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C3)cs1 ZINC000537895804 938403390 /nfs/dbraw/zinc/40/33/90/938403390.db2.gz BLNVRAOFLFKHJK-ZDUSSCGKSA-N 1 2 408.552 4.437 20 30 HIEDLO N#CC1(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)CC1 ZINC000538660782 938676607 /nfs/dbraw/zinc/67/66/07/938676607.db2.gz XGXINIVWSDMWKP-UHFFFAOYSA-N 1 2 419.501 4.250 20 30 HIEDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000539358252 938847788 /nfs/dbraw/zinc/84/77/88/938847788.db2.gz PHYPWSVVFNCDPJ-HNNXBMFYSA-N 1 2 424.476 4.055 20 30 HIEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cs1 ZINC000541644492 939584748 /nfs/dbraw/zinc/58/47/48/939584748.db2.gz PWUUXUPENMQPRD-INIZCTEOSA-N 1 2 421.570 4.333 20 30 HIEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2)cc1F ZINC000541688741 939603568 /nfs/dbraw/zinc/60/35/68/939603568.db2.gz COYCJZVHHPAZQD-SJORKVTESA-N 1 2 421.476 4.170 20 30 HIEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccc(C)o1 ZINC000542558123 939843399 /nfs/dbraw/zinc/84/33/99/939843399.db2.gz BVXRCDJVEWFUBF-FQEVSTJZSA-N 1 2 412.534 4.299 20 30 HIEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)s1 ZINC000542617908 939849181 /nfs/dbraw/zinc/84/91/81/939849181.db2.gz HBOWOLYEIFJCCP-AWEZNQCLSA-N 1 2 411.506 4.159 20 30 HIEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543876252 940221406 /nfs/dbraw/zinc/22/14/06/940221406.db2.gz XCWLJVAMZNMVJD-MRXNPFEDSA-N 1 2 409.433 4.041 20 30 HIEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543876252 940221412 /nfs/dbraw/zinc/22/14/12/940221412.db2.gz XCWLJVAMZNMVJD-MRXNPFEDSA-N 1 2 409.433 4.041 20 30 HIEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)CC2)n[nH]1 ZINC000543905511 940235697 /nfs/dbraw/zinc/23/56/97/940235697.db2.gz PNPBIXJXHRGCKG-UHFFFAOYSA-N 1 2 422.577 4.331 20 30 HIEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)CC2)[nH]n1 ZINC000543905511 940235708 /nfs/dbraw/zinc/23/57/08/940235708.db2.gz PNPBIXJXHRGCKG-UHFFFAOYSA-N 1 2 422.577 4.331 20 30 HIEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)n2)C1 ZINC000544230723 940361650 /nfs/dbraw/zinc/36/16/50/940361650.db2.gz UZVBYEYASPWVPR-INIZCTEOSA-N 1 2 409.559 4.443 20 30 HIEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)n2)C1 ZINC000544230723 940361653 /nfs/dbraw/zinc/36/16/53/940361653.db2.gz UZVBYEYASPWVPR-INIZCTEOSA-N 1 2 409.559 4.443 20 30 HIEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)s1 ZINC000544520333 940470586 /nfs/dbraw/zinc/47/05/86/940470586.db2.gz VAPMMQTXBMAQPL-MRXNPFEDSA-N 1 2 407.543 4.079 20 30 HIEDLO Cc1nc([C@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)oc1-c1ccc(Cl)cc1 ZINC000545506071 940572352 /nfs/dbraw/zinc/57/23/52/940572352.db2.gz HFCSUJIACLORAI-INIZCTEOSA-N 1 2 407.905 4.453 20 30 HIEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000564006410 945345935 /nfs/dbraw/zinc/34/59/35/945345935.db2.gz KTMWMINTBBUNDM-OAHLLOKOSA-N 1 2 402.420 4.488 20 30 HIEDLO C=C[C@H](CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)c1ccccc1 ZINC000546770787 940879767 /nfs/dbraw/zinc/87/97/67/940879767.db2.gz WCDBRUZUVRGSCN-MRXNPFEDSA-N 1 2 412.331 4.424 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000547292327 941053661 /nfs/dbraw/zinc/05/36/61/941053661.db2.gz GHGXJMCZCUGNCL-OAHLLOKOSA-N 1 2 410.315 4.437 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000547292327 941053665 /nfs/dbraw/zinc/05/36/65/941053665.db2.gz GHGXJMCZCUGNCL-OAHLLOKOSA-N 1 2 410.315 4.437 20 30 HIEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc2c(c1)CCCC2 ZINC000548865992 941127149 /nfs/dbraw/zinc/12/71/49/941127149.db2.gz YAMWTWRAUMRRHO-UXHICEINSA-N 1 2 416.569 4.083 20 30 HIEDLO CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@](C)(C(F)(F)F)O1 ZINC000552111161 941586870 /nfs/dbraw/zinc/58/68/70/941586870.db2.gz UALSJJWGNDGHQS-HXUWFJFHSA-N 1 2 406.452 4.396 20 30 HIEDLO CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@](C)(C(F)(F)F)O1 ZINC000552111161 941586875 /nfs/dbraw/zinc/58/68/75/941586875.db2.gz UALSJJWGNDGHQS-HXUWFJFHSA-N 1 2 406.452 4.396 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C(F)(F)F)c1 ZINC000555101099 942385769 /nfs/dbraw/zinc/38/57/69/942385769.db2.gz YFDUTXNEFANSET-UHFFFAOYSA-N 1 2 421.426 4.319 20 30 HIEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000556505425 942887214 /nfs/dbraw/zinc/88/72/14/942887214.db2.gz HNJKMOGPRORILY-INIZCTEOSA-N 1 2 409.374 4.210 20 30 HIEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000556505425 942887218 /nfs/dbraw/zinc/88/72/18/942887218.db2.gz HNJKMOGPRORILY-INIZCTEOSA-N 1 2 409.374 4.210 20 30 HIEDLO N#CCCn1ncc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1-c1ccccc1 ZINC000556860577 942942467 /nfs/dbraw/zinc/94/24/67/942942467.db2.gz PSJNTNULVUIDFJ-MXVIHJGJSA-N 1 2 414.513 4.012 20 30 HIEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000557042964 943003963 /nfs/dbraw/zinc/00/39/63/943003963.db2.gz YMBUPUJKGVOQOB-NSHDSACASA-N 1 2 402.130 4.213 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000558133337 943391024 /nfs/dbraw/zinc/39/10/24/943391024.db2.gz MEGCNSFOTQQLEM-LEWJYISDSA-N 1 2 423.582 4.051 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000558133337 943391034 /nfs/dbraw/zinc/39/10/34/943391034.db2.gz MEGCNSFOTQQLEM-LEWJYISDSA-N 1 2 423.582 4.051 20 30 HIEDLO C=CC[N@H+](Cc1cscc1Br)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000565449183 945832571 /nfs/dbraw/zinc/83/25/71/945832571.db2.gz HCKJTLDGDNINKK-CYBMUJFWSA-N 1 2 404.337 4.236 20 30 HIEDLO C=CC[N@@H+](Cc1cscc1Br)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000565449183 945832575 /nfs/dbraw/zinc/83/25/75/945832575.db2.gz HCKJTLDGDNINKK-CYBMUJFWSA-N 1 2 404.337 4.236 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000570749221 947343655 /nfs/dbraw/zinc/34/36/55/947343655.db2.gz NESGRNIHWXRLRW-DYESRHJHSA-N 1 2 409.555 4.265 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000570749221 947343674 /nfs/dbraw/zinc/34/36/74/947343674.db2.gz NESGRNIHWXRLRW-DYESRHJHSA-N 1 2 409.555 4.265 20 30 HIEDLO CCCCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nnc1[C@@H](CC)[NH+](C)C ZINC000004494694 845059276 /nfs/dbraw/zinc/05/92/76/845059276.db2.gz PRWGIACALJUTQZ-MAUKXSAKSA-N 1 2 414.579 4.082 20 30 HIEDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)c1 ZINC000007718580 845397287 /nfs/dbraw/zinc/39/72/87/845397287.db2.gz LFCZFRFBDNCAJQ-LJQANCHMSA-N 1 2 411.527 4.095 20 30 HIEDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)c1 ZINC000007718580 845397300 /nfs/dbraw/zinc/39/73/00/845397300.db2.gz LFCZFRFBDNCAJQ-LJQANCHMSA-N 1 2 411.527 4.095 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000010085752 845618701 /nfs/dbraw/zinc/61/87/01/845618701.db2.gz GTFRAAJCPJYHRX-NHCUHLMSSA-N 1 2 413.443 4.025 20 30 HIEDLO C[C@@H](c1nnc(SCCOc2ccc(C#N)cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000022718585 846609630 /nfs/dbraw/zinc/60/96/30/846609630.db2.gz XXIKHKRCGRJPTH-HNNXBMFYSA-N 1 2 411.506 4.072 20 30 HIEDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000026217161 847105196 /nfs/dbraw/zinc/10/51/96/847105196.db2.gz VSHHLWOOCMMBRW-UHFFFAOYSA-N 1 2 405.501 4.304 20 30 HIEDLO C=CCc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc(OC)c1OC ZINC000028685021 847447442 /nfs/dbraw/zinc/44/74/42/847447442.db2.gz VSUDHKOTOZSWMI-HNNXBMFYSA-N 1 2 415.559 4.373 20 30 HIEDLO C=CCc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc(OC)c1OC ZINC000028685021 847447446 /nfs/dbraw/zinc/44/74/46/847447446.db2.gz VSUDHKOTOZSWMI-HNNXBMFYSA-N 1 2 415.559 4.373 20 30 HIEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961459 847484590 /nfs/dbraw/zinc/48/45/90/847484590.db2.gz RWOBDEWBFSPFHU-FQEVSTJZSA-N 1 2 412.537 4.246 20 30 HIEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961459 847484605 /nfs/dbraw/zinc/48/46/05/847484605.db2.gz RWOBDEWBFSPFHU-FQEVSTJZSA-N 1 2 412.537 4.246 20 30 HIEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000029226298 847526069 /nfs/dbraw/zinc/52/60/69/847526069.db2.gz AFWHUZMOKHKHFO-UHFFFAOYSA-N 1 2 424.508 4.061 20 30 HIEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044567996 848571500 /nfs/dbraw/zinc/57/15/00/848571500.db2.gz GURHFTKYQJCGMD-UHFFFAOYSA-N 1 2 416.529 4.185 20 30 HIEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CSCc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000046343405 848827622 /nfs/dbraw/zinc/82/76/22/848827622.db2.gz INRODZGXGIVXOQ-QZTJIDSGSA-N 1 2 409.555 4.039 20 30 HIEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051050135 849428998 /nfs/dbraw/zinc/42/89/98/849428998.db2.gz WSKMQWVSGUVMCO-LSDHHAIUSA-N 1 2 404.536 4.008 20 30 HIEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051050135 849429006 /nfs/dbraw/zinc/42/90/06/849429006.db2.gz WSKMQWVSGUVMCO-LSDHHAIUSA-N 1 2 404.536 4.008 20 30 HIEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000052534726 849593944 /nfs/dbraw/zinc/59/39/44/849593944.db2.gz RFJBQUMRDRBDEV-UHFFFAOYSA-N 1 2 419.872 4.330 20 30 HIEDLO CC(C)COC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000054324903 849848672 /nfs/dbraw/zinc/84/86/72/849848672.db2.gz SUPUMNCVONTCDY-MRXNPFEDSA-N 1 2 403.592 4.353 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)CC2)cc1 ZINC000058454219 850829628 /nfs/dbraw/zinc/82/96/28/850829628.db2.gz FUSRAXRDHZAIER-UHFFFAOYSA-N 1 2 417.538 4.395 20 30 HIEDLO COc1ccc(C[NH+](CC(=O)NC2(C#N)CCCCC2)Cc2ccc(OC)cc2)cc1 ZINC000064809537 851990395 /nfs/dbraw/zinc/99/03/95/851990395.db2.gz NIHAMYOTPKREAG-UHFFFAOYSA-N 1 2 421.541 4.049 20 30 HIEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000071952222 852443576 /nfs/dbraw/zinc/44/35/76/852443576.db2.gz CAWGCCHBIIQGSS-UHFFFAOYSA-N 1 2 422.529 4.445 20 30 HIEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000071952222 852443580 /nfs/dbraw/zinc/44/35/80/852443580.db2.gz CAWGCCHBIIQGSS-UHFFFAOYSA-N 1 2 422.529 4.445 20 30 HIEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000108510892 852856824 /nfs/dbraw/zinc/85/68/24/852856824.db2.gz OPOXMPGNCFWIFB-FQEVSTJZSA-N 1 2 412.559 4.289 20 30 HIEDLO CC(C)[N@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Cc1ccc(C#N)cc1 ZINC000109404719 852965638 /nfs/dbraw/zinc/96/56/38/852965638.db2.gz OMFQFQYSYMPFJX-UHFFFAOYSA-N 1 2 415.419 4.302 20 30 HIEDLO CC(C)[N@@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Cc1ccc(C#N)cc1 ZINC000109404719 852965645 /nfs/dbraw/zinc/96/56/45/852965645.db2.gz OMFQFQYSYMPFJX-UHFFFAOYSA-N 1 2 415.419 4.302 20 30 HIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)c1C ZINC000109464484 852973629 /nfs/dbraw/zinc/97/36/29/852973629.db2.gz FPKXKHGAAIIQGA-UHFFFAOYSA-N 1 2 415.493 4.430 20 30 HIEDLO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000301510598 854410686 /nfs/dbraw/zinc/41/06/86/854410686.db2.gz BFLUMABEMXNKLB-UHFFFAOYSA-N 1 2 422.916 4.083 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000303347851 854885544 /nfs/dbraw/zinc/88/55/44/854885544.db2.gz ZXCFQNOKKFGPEO-CQSZACIVSA-N 1 2 407.455 4.285 20 30 HIEDLO N#Cc1ccccc1COc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000303409213 854913159 /nfs/dbraw/zinc/91/31/59/854913159.db2.gz QUCDFXYJVNSMQX-UHFFFAOYSA-N 1 2 400.482 4.154 20 30 HIEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000303861745 855257001 /nfs/dbraw/zinc/25/70/01/855257001.db2.gz GROPVAQJQPRFHK-HNNXBMFYSA-N 1 2 423.504 4.193 20 30 HIEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000303861745 855257007 /nfs/dbraw/zinc/25/70/07/855257007.db2.gz GROPVAQJQPRFHK-HNNXBMFYSA-N 1 2 423.504 4.193 20 30 HIEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](c2ccc(F)cc2)O1 ZINC000303883728 855268402 /nfs/dbraw/zinc/26/84/02/855268402.db2.gz JKBLISZCHUZCCI-AUUYWEPGSA-N 1 2 413.518 4.038 20 30 HIEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](c2ccc(F)cc2)O1 ZINC000303883728 855268412 /nfs/dbraw/zinc/26/84/12/855268412.db2.gz JKBLISZCHUZCCI-AUUYWEPGSA-N 1 2 413.518 4.038 20 30 HIEDLO Cc1sc(NC(=O)C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c(C#N)c1C ZINC000426374771 856264004 /nfs/dbraw/zinc/26/40/04/856264004.db2.gz YMUIIDKDBRDPMR-NRFANRHFSA-N 1 2 418.522 4.145 20 30 HIEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c(C#N)c1C ZINC000426407612 856278280 /nfs/dbraw/zinc/27/82/80/856278280.db2.gz VVCJQYLBNSGWLP-SJLPKXTDSA-N 1 2 424.353 4.072 20 30 HIEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c(C#N)c1C ZINC000426407612 856278286 /nfs/dbraw/zinc/27/82/86/856278286.db2.gz VVCJQYLBNSGWLP-SJLPKXTDSA-N 1 2 424.353 4.072 20 30 HIEDLO N#Cc1cccc(NCC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000426440063 856291340 /nfs/dbraw/zinc/29/13/40/856291340.db2.gz MSPKYLWJLMZDRT-UHFFFAOYSA-N 1 2 421.504 4.198 20 30 HIEDLO N#Cc1c(F)cccc1C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000428324606 857153434 /nfs/dbraw/zinc/15/34/34/857153434.db2.gz YDTIJXURSHYIKB-IBGZPJMESA-N 1 2 405.395 4.169 20 30 HIEDLO N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000429050310 857477800 /nfs/dbraw/zinc/47/78/00/857477800.db2.gz SKBZZQOPKFTERS-UHFFFAOYSA-N 1 2 415.497 4.466 20 30 HIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000429089911 857504236 /nfs/dbraw/zinc/50/42/36/857504236.db2.gz BZIGQKKMCJRDDD-SFHVURJKSA-N 1 2 419.554 4.044 20 30 HIEDLO N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)cc1 ZINC000429108851 857513574 /nfs/dbraw/zinc/51/35/74/857513574.db2.gz XJPAWQBCPFWSRV-UHFFFAOYSA-N 1 2 415.497 4.466 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(c3cncc4ccccc43)CC2)c(Br)c1 ZINC000429637676 857812758 /nfs/dbraw/zinc/81/27/58/857812758.db2.gz SRLLBBQATKMQSZ-UHFFFAOYSA-N 1 2 407.315 4.191 20 30 HIEDLO CCC[N@H+](CCS(=O)(=O)c1cccc(Br)c1)Cc1ccc(C#N)cc1 ZINC000430059847 858016282 /nfs/dbraw/zinc/01/62/82/858016282.db2.gz LUEIBCGWDARLQF-UHFFFAOYSA-N 1 2 421.360 4.007 20 30 HIEDLO CCC[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)Cc1ccc(C#N)cc1 ZINC000430059847 858016295 /nfs/dbraw/zinc/01/62/95/858016295.db2.gz LUEIBCGWDARLQF-UHFFFAOYSA-N 1 2 421.360 4.007 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000432054875 858952839 /nfs/dbraw/zinc/95/28/39/858952839.db2.gz NHTPZVZJVMJFLB-UHFFFAOYSA-N 1 2 405.458 4.159 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434684012 860458190 /nfs/dbraw/zinc/45/81/90/860458190.db2.gz JMZWYMHHBZTONG-GOSISDBHSA-N 1 2 407.489 4.056 20 30 HIEDLO Cc1oc(C#N)cc1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000435703856 860986106 /nfs/dbraw/zinc/98/61/06/860986106.db2.gz HTDZUFFMDJOMAY-UHFFFAOYSA-N 1 2 400.841 4.181 20 30 HIEDLO C[C@H](c1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000438009430 863368889 /nfs/dbraw/zinc/36/88/89/863368889.db2.gz IVARTWXQRWOTNS-CTUHWIOQSA-N 1 2 418.541 4.383 20 30 HIEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)Cc1ccccn1 ZINC000438539600 863966048 /nfs/dbraw/zinc/96/60/48/863966048.db2.gz XJPRYEWBPNFXFQ-UHFFFAOYSA-N 1 2 419.504 4.020 20 30 HIEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)Cc1ccccn1 ZINC000438539600 863966063 /nfs/dbraw/zinc/96/60/63/863966063.db2.gz XJPRYEWBPNFXFQ-UHFFFAOYSA-N 1 2 419.504 4.020 20 30 HIEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1C(F)(F)F ZINC000438541003 863967917 /nfs/dbraw/zinc/96/79/17/863967917.db2.gz ONOIVTMYYDZLJB-UHFFFAOYSA-N 1 2 402.420 4.235 20 30 HIEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](c4ccsc4)C3)sc2C1 ZINC000468111575 881930157 /nfs/dbraw/zinc/93/01/57/881930157.db2.gz VSTCNDUAUYVXBK-KSSFIOAISA-N 1 2 415.584 4.208 20 30 HIEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@H](c4ccsc4)C3)sc2C1 ZINC000468111575 881930180 /nfs/dbraw/zinc/93/01/80/881930180.db2.gz VSTCNDUAUYVXBK-KSSFIOAISA-N 1 2 415.584 4.208 20 30 HIEDLO COc1cc(C#N)ccc1OCC[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000440950175 866042389 /nfs/dbraw/zinc/04/23/89/866042389.db2.gz BIGYLHFNMMEMDF-UHFFFAOYSA-N 1 2 402.498 4.055 20 30 HIEDLO CO[C@H](C)c1nc(CN2CCC[N@H+](CC#Cc3ccccc3Cl)CC2)cs1 ZINC000441158131 866245827 /nfs/dbraw/zinc/24/58/27/866245827.db2.gz VYXTYEDEYJVHOS-QGZVFWFLSA-N 1 2 403.979 4.063 20 30 HIEDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](CC#Cc3ccccc3Cl)CC2)cs1 ZINC000441158131 866245845 /nfs/dbraw/zinc/24/58/45/866245845.db2.gz VYXTYEDEYJVHOS-QGZVFWFLSA-N 1 2 403.979 4.063 20 30 HIEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nc2scc(-c3ccccc3)c2c1=O ZINC000443479681 868063656 /nfs/dbraw/zinc/06/36/56/868063656.db2.gz YHMSOTZLOVDNMR-UHFFFAOYSA-N 1 2 406.536 4.581 20 30 HIEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000443637588 868221693 /nfs/dbraw/zinc/22/16/93/868221693.db2.gz GMDRFAHGHCXIQW-ZFWWWQNUSA-N 1 2 410.449 4.255 20 30 HIEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000443637588 868221715 /nfs/dbraw/zinc/22/17/15/868221715.db2.gz GMDRFAHGHCXIQW-ZFWWWQNUSA-N 1 2 410.449 4.255 20 30 HIEDLO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)o2)cc1C ZINC000468270785 882191552 /nfs/dbraw/zinc/19/15/52/882191552.db2.gz QFNKTLHHDATMLA-IBGZPJMESA-N 1 2 401.514 4.104 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(OC)cc1 ZINC000444023988 868553262 /nfs/dbraw/zinc/55/32/62/868553262.db2.gz PPPGROSKPMFWOD-UHFFFAOYSA-N 1 2 408.498 4.363 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(OC)cc1 ZINC000444023988 868553287 /nfs/dbraw/zinc/55/32/87/868553287.db2.gz PPPGROSKPMFWOD-UHFFFAOYSA-N 1 2 408.498 4.363 20 30 HIEDLO N#CCCCn1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC000444029987 868563467 /nfs/dbraw/zinc/56/34/67/868563467.db2.gz ZTAMXTOHNADXBN-UHFFFAOYSA-N 1 2 402.498 4.030 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000444721642 868976174 /nfs/dbraw/zinc/97/61/74/868976174.db2.gz WQBSTULSKXZIJO-OAHLLOKOSA-N 1 2 422.426 4.318 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000444721642 868976178 /nfs/dbraw/zinc/97/61/78/868976178.db2.gz WQBSTULSKXZIJO-OAHLLOKOSA-N 1 2 422.426 4.318 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000445236101 869293123 /nfs/dbraw/zinc/29/31/23/869293123.db2.gz GNKYVQNQJLOFQH-GOSISDBHSA-N 1 2 401.470 4.496 20 30 HIEDLO COc1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)cc1OCCCC#N ZINC000446947954 870854890 /nfs/dbraw/zinc/85/48/90/870854890.db2.gz KIYCBWINGDUTRB-UHFFFAOYSA-N 1 2 415.291 4.051 20 30 HIEDLO COc1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)cc1OCCCC#N ZINC000446947954 870854893 /nfs/dbraw/zinc/85/48/93/870854893.db2.gz KIYCBWINGDUTRB-UHFFFAOYSA-N 1 2 415.291 4.051 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)c1 ZINC000447379616 871284424 /nfs/dbraw/zinc/28/44/24/871284424.db2.gz CJESXSRSFGBQSX-UHFFFAOYSA-N 1 2 409.338 4.308 20 30 HIEDLO C[C@H](c1ccsc1)[NH+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000462460621 875566523 /nfs/dbraw/zinc/56/65/23/875566523.db2.gz TWZFJQLZXWXTMD-GOSISDBHSA-N 1 2 406.555 4.178 20 30 HIEDLO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1csc(-c2ccccc2F)n1 ZINC000462820068 875860700 /nfs/dbraw/zinc/86/07/00/875860700.db2.gz VGEUQCJBYNYMCF-FOIQADDNSA-N 1 2 420.513 4.273 20 30 HIEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Br)cc1OCCCO ZINC000463376876 876432978 /nfs/dbraw/zinc/43/29/78/876432978.db2.gz MAIUFKSDKOAMDV-ZDUSSCGKSA-N 1 2 407.283 4.072 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000464561810 877778853 /nfs/dbraw/zinc/77/88/53/877778853.db2.gz XKZCOWTVOOHFBX-FQEVSTJZSA-N 1 2 416.525 4.376 20 30 HIEDLO N#CCCCOc1cccnc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000466607585 880377342 /nfs/dbraw/zinc/37/73/42/880377342.db2.gz DZYBCFLNJGOMGZ-CTNGQTDRSA-N 1 2 416.485 4.011 20 30 HIEDLO CC#CCCCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000466653366 880430398 /nfs/dbraw/zinc/43/03/98/880430398.db2.gz GLHOSTODWJDHJH-UHFFFAOYSA-N 1 2 404.554 4.130 20 30 HIEDLO N#Cc1cc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)ccc1F ZINC000469190921 883290790 /nfs/dbraw/zinc/29/07/90/883290790.db2.gz ZTZMLMGPEJIGCA-UHFFFAOYSA-N 1 2 407.518 4.225 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469461153 883672228 /nfs/dbraw/zinc/67/22/28/883672228.db2.gz PVTNGWQXJMLRNW-SJORKVTESA-N 1 2 413.468 4.098 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469461153 883672237 /nfs/dbraw/zinc/67/22/37/883672237.db2.gz PVTNGWQXJMLRNW-SJORKVTESA-N 1 2 413.468 4.098 20 30 HIEDLO COCC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)Cc1cccs1 ZINC000470171625 884449830 /nfs/dbraw/zinc/44/98/30/884449830.db2.gz MNWAKCNNCINAQF-UHFFFAOYSA-N 1 2 405.951 4.105 20 30 HIEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)Cc1cccs1 ZINC000470171625 884449835 /nfs/dbraw/zinc/44/98/35/884449835.db2.gz MNWAKCNNCINAQF-UHFFFAOYSA-N 1 2 405.951 4.105 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000470286215 884655987 /nfs/dbraw/zinc/65/59/87/884655987.db2.gz KNRCIQCPGBMTOC-SFHVURJKSA-N 1 2 402.523 4.463 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000471942930 886743400 /nfs/dbraw/zinc/74/34/00/886743400.db2.gz LTBNYTAUBUPNCL-CTNGQTDRSA-N 1 2 414.456 4.191 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000471942930 886743411 /nfs/dbraw/zinc/74/34/11/886743411.db2.gz LTBNYTAUBUPNCL-CTNGQTDRSA-N 1 2 414.456 4.191 20 30 HIEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000474709477 889568292 /nfs/dbraw/zinc/56/82/92/889568292.db2.gz NOPPKPHLNNXMCA-NRFANRHFSA-N 1 2 410.493 4.126 20 30 HIEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000474709477 889568305 /nfs/dbraw/zinc/56/83/05/889568305.db2.gz NOPPKPHLNNXMCA-NRFANRHFSA-N 1 2 410.493 4.126 20 30 HIEDLO COc1cccc([C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2cc(F)ccc2OC)c1 ZINC000475172216 890037443 /nfs/dbraw/zinc/03/74/43/890037443.db2.gz GCBRXWZXLGCWEA-DEOSSOPVSA-N 1 2 419.456 4.032 20 30 HIEDLO COc1cccc([C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2cc(F)ccc2OC)c1 ZINC000475172733 890040145 /nfs/dbraw/zinc/04/01/45/890040145.db2.gz GCBRXWZXLGCWEA-XMMPIXPASA-N 1 2 419.456 4.032 20 30 HIEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000475179371 890049139 /nfs/dbraw/zinc/04/91/39/890049139.db2.gz AIFBTCDFPIPMSA-UHFFFAOYSA-N 1 2 409.530 4.156 20 30 HIEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000475734405 890674841 /nfs/dbraw/zinc/67/48/41/890674841.db2.gz NOXZLOMZJWLINY-INIZCTEOSA-N 1 2 409.433 4.041 20 30 HIEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000475734405 890674845 /nfs/dbraw/zinc/67/48/45/890674845.db2.gz NOXZLOMZJWLINY-INIZCTEOSA-N 1 2 409.433 4.041 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000475777063 890719769 /nfs/dbraw/zinc/71/97/69/890719769.db2.gz WODUHGRYYWTZIZ-MRXNPFEDSA-N 1 2 408.330 4.023 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476656522 891602788 /nfs/dbraw/zinc/60/27/88/891602788.db2.gz HVCFKSVPVNAHDC-GRWTVWFQSA-N 1 2 415.459 4.443 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476656522 891602804 /nfs/dbraw/zinc/60/28/04/891602804.db2.gz HVCFKSVPVNAHDC-GRWTVWFQSA-N 1 2 415.459 4.443 20 30 HIEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000478052857 893202613 /nfs/dbraw/zinc/20/26/13/893202613.db2.gz IBQLWFUDFYQVTM-OAHLLOKOSA-N 1 2 410.461 4.434 20 30 HIEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000478052857 893202635 /nfs/dbraw/zinc/20/26/35/893202635.db2.gz IBQLWFUDFYQVTM-OAHLLOKOSA-N 1 2 410.461 4.434 20 30 HIEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(Br)cc1 ZINC000478437480 893739867 /nfs/dbraw/zinc/73/98/67/893739867.db2.gz UNXHWWAVGWSQNX-UHFFFAOYSA-N 1 2 421.360 4.005 20 30 HIEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(Br)cc1 ZINC000478437480 893739887 /nfs/dbraw/zinc/73/98/87/893739887.db2.gz UNXHWWAVGWSQNX-UHFFFAOYSA-N 1 2 421.360 4.005 20 30 HIEDLO C=CCOc1ccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000479107748 894373395 /nfs/dbraw/zinc/37/33/95/894373395.db2.gz RJEOAIVJHDHMFI-UHFFFAOYSA-N 1 2 400.482 4.488 20 30 HIEDLO COc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000479949225 895302902 /nfs/dbraw/zinc/30/29/02/895302902.db2.gz NBDHJFQUCFDTAV-OAHLLOKOSA-N 1 2 407.539 4.233 20 30 HIEDLO COc1cccc(C2=CC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000479949225 895302916 /nfs/dbraw/zinc/30/29/16/895302916.db2.gz NBDHJFQUCFDTAV-OAHLLOKOSA-N 1 2 407.539 4.233 20 30 HIEDLO C=C(C)COc1cccc(NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000480430792 895824177 /nfs/dbraw/zinc/82/41/77/895824177.db2.gz GNSHRGQBZHAANX-OAQYLSRUSA-N 1 2 423.557 4.396 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)cc1 ZINC000480790139 896155842 /nfs/dbraw/zinc/15/58/42/896155842.db2.gz XAKYKHAJVQTXPD-UHFFFAOYSA-N 1 2 411.303 4.240 20 30 HIEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)c2)c1 ZINC000505516085 914206561 /nfs/dbraw/zinc/20/65/61/914206561.db2.gz OFNNRJZFXQFFSQ-DEOSSOPVSA-N 1 2 415.468 4.063 20 30 HIEDLO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1 ZINC000505703761 914390604 /nfs/dbraw/zinc/39/06/04/914390604.db2.gz VOUZCYKWAHCBQZ-NRFANRHFSA-N 1 2 418.884 4.186 20 30 HIEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000484358174 899905868 /nfs/dbraw/zinc/90/58/68/899905868.db2.gz GMHJKVJHPGCIAR-INIZCTEOSA-N 1 2 401.860 4.497 20 30 HIEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000484358174 899905873 /nfs/dbraw/zinc/90/58/73/899905873.db2.gz GMHJKVJHPGCIAR-INIZCTEOSA-N 1 2 401.860 4.497 20 30 HIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)cc1 ZINC000485298050 900576219 /nfs/dbraw/zinc/57/62/19/900576219.db2.gz AJJONWJXWXJDAS-IERDGZPVSA-N 1 2 415.497 4.017 20 30 HIEDLO Cc1nc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)ccc1C#N ZINC000487940487 902469484 /nfs/dbraw/zinc/46/94/84/902469484.db2.gz MSCQZGRHOIPIPC-UHFFFAOYSA-N 1 2 410.934 4.243 20 30 HIEDLO N#C[C@H](C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccc(C(F)(F)F)cn1 ZINC000489891082 903654839 /nfs/dbraw/zinc/65/48/39/903654839.db2.gz RQXPVFMHZZYKML-LBPRGKRZSA-N 1 2 407.302 4.109 20 30 HIEDLO C=CC[C@@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)c1ccccc1 ZINC000490207523 903828665 /nfs/dbraw/zinc/82/86/65/903828665.db2.gz ZTDMDDMJSXYPGA-LJQANCHMSA-N 1 2 412.331 4.424 20 30 HIEDLO C=CC[C@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)c1ccccc1 ZINC000490207514 903829077 /nfs/dbraw/zinc/82/90/77/903829077.db2.gz ZTDMDDMJSXYPGA-IBGZPJMESA-N 1 2 412.331 4.424 20 30 HIEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490236242 903845379 /nfs/dbraw/zinc/84/53/79/903845379.db2.gz DJMCVQINAFLHHO-YADHBBJMSA-N 1 2 415.484 4.116 20 30 HIEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490236242 903845383 /nfs/dbraw/zinc/84/53/83/903845383.db2.gz DJMCVQINAFLHHO-YADHBBJMSA-N 1 2 415.484 4.116 20 30 HIEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490404911 903989519 /nfs/dbraw/zinc/98/95/19/903989519.db2.gz UJSQNYRPACGDSM-NRFANRHFSA-N 1 2 424.451 4.134 20 30 HIEDLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490404911 903989521 /nfs/dbraw/zinc/98/95/21/903989521.db2.gz UJSQNYRPACGDSM-NRFANRHFSA-N 1 2 424.451 4.134 20 30 HIEDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)ccc1OC(F)F ZINC000506178963 914835341 /nfs/dbraw/zinc/83/53/41/914835341.db2.gz RQXAWCUCAZDZHV-UHFFFAOYSA-N 1 2 423.847 4.282 20 30 HIEDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)ccc1OC(F)F ZINC000506178963 914835350 /nfs/dbraw/zinc/83/53/50/914835350.db2.gz RQXAWCUCAZDZHV-UHFFFAOYSA-N 1 2 423.847 4.282 20 30 HIEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1 ZINC000492646954 904881490 /nfs/dbraw/zinc/88/14/90/904881490.db2.gz CKGNOLSCJFBPOH-IBGZPJMESA-N 1 2 412.331 4.105 20 30 HIEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1 ZINC000492646954 904881500 /nfs/dbraw/zinc/88/15/00/904881500.db2.gz CKGNOLSCJFBPOH-IBGZPJMESA-N 1 2 412.331 4.105 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000512527065 921216183 /nfs/dbraw/zinc/21/61/83/921216183.db2.gz NFQXOKNSHGGLKJ-IBGZPJMESA-N 1 2 407.562 4.071 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000512527065 921216191 /nfs/dbraw/zinc/21/61/91/921216191.db2.gz NFQXOKNSHGGLKJ-IBGZPJMESA-N 1 2 407.562 4.071 20 30 HIEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(Br)ccc3F)CC2)c1 ZINC000512638341 921270218 /nfs/dbraw/zinc/27/02/18/921270218.db2.gz IWWDPGLJXVRHKW-UHFFFAOYSA-N 1 2 416.294 4.311 20 30 HIEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512837849 921340669 /nfs/dbraw/zinc/34/06/69/921340669.db2.gz AKADAROMQATIGK-CQSZACIVSA-N 1 2 424.501 4.177 20 30 HIEDLO COc1cccc(C2(F)CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000500164625 909646984 /nfs/dbraw/zinc/64/69/84/909646984.db2.gz FRWSEPAVCAFORS-UHFFFAOYSA-N 1 2 401.869 4.120 20 30 HIEDLO C=CCc1cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc(OC)c1OC ZINC000500846115 910120266 /nfs/dbraw/zinc/12/02/66/910120266.db2.gz ZYNCMAMUMUZZOS-NRFANRHFSA-N 1 2 421.497 4.056 20 30 HIEDLO C=CCc1cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc(OC)c1OC ZINC000500846115 910120269 /nfs/dbraw/zinc/12/02/69/910120269.db2.gz ZYNCMAMUMUZZOS-NRFANRHFSA-N 1 2 421.497 4.056 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000513113362 921560826 /nfs/dbraw/zinc/56/08/26/921560826.db2.gz NBOOXKCXWPNVGN-UHFFFAOYSA-N 1 2 422.488 4.312 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000502156803 911078085 /nfs/dbraw/zinc/07/80/85/911078085.db2.gz RVUSDDDYUORDLH-DHIUTWEWSA-N 1 2 422.479 4.081 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000502156803 911078103 /nfs/dbraw/zinc/07/81/03/911078103.db2.gz RVUSDDDYUORDLH-DHIUTWEWSA-N 1 2 422.479 4.081 20 30 HIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502242616 911196997 /nfs/dbraw/zinc/19/69/97/911196997.db2.gz OMHHIVPTGKJZBQ-GOSISDBHSA-N 1 2 407.518 4.290 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2)cc1 ZINC000502531201 911534684 /nfs/dbraw/zinc/53/46/84/911534684.db2.gz NWRUXXSWQJUYLG-UHFFFAOYSA-N 1 2 415.493 4.328 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2)cc1 ZINC000502531201 911534701 /nfs/dbraw/zinc/53/47/01/911534701.db2.gz NWRUXXSWQJUYLG-UHFFFAOYSA-N 1 2 415.493 4.328 20 30 HIEDLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502540503 911547282 /nfs/dbraw/zinc/54/72/82/911547282.db2.gz MRSWEANTECCMPQ-KRWDZBQOSA-N 1 2 416.550 4.304 20 30 HIEDLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502540503 911547287 /nfs/dbraw/zinc/54/72/87/911547287.db2.gz MRSWEANTECCMPQ-KRWDZBQOSA-N 1 2 416.550 4.304 20 30 HIEDLO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl ZINC000506421303 915027362 /nfs/dbraw/zinc/02/73/62/915027362.db2.gz JKAGVTXOPVNHJV-UHFFFAOYSA-N 1 2 402.897 4.392 20 30 HIEDLO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl ZINC000506421303 915027379 /nfs/dbraw/zinc/02/73/79/915027379.db2.gz JKAGVTXOPVNHJV-UHFFFAOYSA-N 1 2 402.897 4.392 20 30 HIEDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)c1C ZINC000506787290 915511409 /nfs/dbraw/zinc/51/14/09/915511409.db2.gz BPMWZAHBCVSHSH-UHFFFAOYSA-N 1 2 401.514 4.151 20 30 HIEDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)c1C ZINC000506787290 915511421 /nfs/dbraw/zinc/51/14/21/915511421.db2.gz BPMWZAHBCVSHSH-UHFFFAOYSA-N 1 2 401.514 4.151 20 30 HIEDLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1cnc3ccc(C#N)cn13)CC2 ZINC000506807748 915557157 /nfs/dbraw/zinc/55/71/57/915557157.db2.gz VIERKCUYKVBBPE-AREMUKBSSA-N 1 2 424.504 4.371 20 30 HIEDLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1cnc3ccc(C#N)cn13)CC2 ZINC000506807748 915557176 /nfs/dbraw/zinc/55/71/76/915557176.db2.gz VIERKCUYKVBBPE-AREMUKBSSA-N 1 2 424.504 4.371 20 30 HIEDLO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000507216459 915966683 /nfs/dbraw/zinc/96/66/83/915966683.db2.gz YCWYIQCXMPMIIL-UHFFFAOYSA-N 1 2 409.364 4.048 20 30 HIEDLO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000507216459 915966700 /nfs/dbraw/zinc/96/67/00/915966700.db2.gz YCWYIQCXMPMIIL-UHFFFAOYSA-N 1 2 409.364 4.048 20 30 HIEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OCCCC#N ZINC000507461022 916227749 /nfs/dbraw/zinc/22/77/49/916227749.db2.gz RBDOEPPWQJBOAV-UHFFFAOYSA-N 1 2 409.530 4.374 20 30 HIEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OCCCC#N ZINC000507461022 916227764 /nfs/dbraw/zinc/22/77/64/916227764.db2.gz RBDOEPPWQJBOAV-UHFFFAOYSA-N 1 2 409.530 4.374 20 30 HIEDLO CC(C)(C)[C@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000507817804 916609914 /nfs/dbraw/zinc/60/99/14/916609914.db2.gz HAUMQKVCNBJGGF-JOCHJYFZSA-N 1 2 411.571 4.367 20 30 HIEDLO CCN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1nc2ccccc2s1 ZINC000507820930 916617862 /nfs/dbraw/zinc/61/78/62/916617862.db2.gz ANJCWZBDRCFUDB-UHFFFAOYSA-N 1 2 420.538 4.064 20 30 HIEDLO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000508715840 917477027 /nfs/dbraw/zinc/47/70/27/917477027.db2.gz NTDXXHBBPHJWNU-NRFANRHFSA-N 1 2 424.499 4.078 20 30 HIEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000509828301 918428892 /nfs/dbraw/zinc/42/88/92/918428892.db2.gz STSGSUCRZHLUOT-AWEZNQCLSA-N 1 2 419.884 4.097 20 30 HIEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000509828301 918428903 /nfs/dbraw/zinc/42/89/03/918428903.db2.gz STSGSUCRZHLUOT-AWEZNQCLSA-N 1 2 419.884 4.097 20 30 HIEDLO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000510409895 918880492 /nfs/dbraw/zinc/88/04/92/918880492.db2.gz AFFYVLCXKRYKFY-KRWDZBQOSA-N 1 2 418.884 4.408 20 30 HIEDLO N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000511144466 919764003 /nfs/dbraw/zinc/76/40/03/919764003.db2.gz HRZWWVGJFGPQCU-IBGZPJMESA-N 1 2 400.507 4.113 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000512228369 920979402 /nfs/dbraw/zinc/97/94/02/920979402.db2.gz NTFMUFWDJOGZSM-HNNXBMFYSA-N 1 2 421.335 4.248 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000512228369 920979415 /nfs/dbraw/zinc/97/94/15/920979415.db2.gz NTFMUFWDJOGZSM-HNNXBMFYSA-N 1 2 421.335 4.248 20 30 HIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000513617545 921946821 /nfs/dbraw/zinc/94/68/21/921946821.db2.gz UWQFXCVSQBNQGA-UHFFFAOYSA-N 1 2 408.521 4.135 20 30 HIEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)cc1 ZINC000515118344 922930565 /nfs/dbraw/zinc/93/05/65/922930565.db2.gz ZNUKHPAIKCKFQQ-UHFFFAOYSA-N 1 2 406.530 4.236 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(Cl)cc4cccnc43)CC2)cc1 ZINC000515121202 922936513 /nfs/dbraw/zinc/93/65/13/922936513.db2.gz FEFSGXGJGCLOOI-UHFFFAOYSA-N 1 2 405.889 4.110 20 30 HIEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3OC(F)(F)F)CC2)c1 ZINC000516479408 923752282 /nfs/dbraw/zinc/75/22/82/923752282.db2.gz KTGYEWYBMNHREK-UHFFFAOYSA-N 1 2 421.394 4.447 20 30 HIEDLO N#Cc1ccc(OCc2cccc(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)c2)cc1 ZINC000524504819 929653100 /nfs/dbraw/zinc/65/31/00/929653100.db2.gz FLMNAMGPOBBLEC-UHFFFAOYSA-N 1 2 422.488 4.312 20 30 HIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000525347676 930186134 /nfs/dbraw/zinc/18/61/34/930186134.db2.gz IXEBYDMPYFFUHW-UHFFFAOYSA-N 1 2 403.486 4.278 20 30 HIEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000531587476 931111492 /nfs/dbraw/zinc/11/14/92/931111492.db2.gz USFOOSPYXSBUEO-XXBNENTESA-N 1 2 421.541 4.029 20 30 HIEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000531587476 931111497 /nfs/dbraw/zinc/11/14/97/931111497.db2.gz USFOOSPYXSBUEO-XXBNENTESA-N 1 2 421.541 4.029 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000532589302 931546601 /nfs/dbraw/zinc/54/66/01/931546601.db2.gz NLFYBGACVXORDX-UHFFFAOYSA-N 1 2 411.571 4.488 20 30 HIEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1Cl ZINC000533149038 931786729 /nfs/dbraw/zinc/78/67/29/931786729.db2.gz XOUGDPUYROYTFL-UHFFFAOYSA-N 1 2 404.297 4.347 20 30 HIEDLO COc1ccc(OC2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000533240721 931816889 /nfs/dbraw/zinc/81/68/89/931816889.db2.gz PKGOQLVFCSZZRJ-HNNXBMFYSA-N 1 2 413.905 4.091 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000533350561 931845763 /nfs/dbraw/zinc/84/57/63/931845763.db2.gz DAVSTCGYYMRGGB-QFIPXVFZSA-N 1 2 417.513 4.078 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000533350561 931845765 /nfs/dbraw/zinc/84/57/65/931845765.db2.gz DAVSTCGYYMRGGB-QFIPXVFZSA-N 1 2 417.513 4.078 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c1C#N ZINC000534940081 932847979 /nfs/dbraw/zinc/84/79/79/932847979.db2.gz JDSCWYHCUCVWRN-JOCHJYFZSA-N 1 2 417.488 4.276 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)c1C#N ZINC000534940081 932847984 /nfs/dbraw/zinc/84/79/84/932847984.db2.gz JDSCWYHCUCVWRN-JOCHJYFZSA-N 1 2 417.488 4.276 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000537901216 938405523 /nfs/dbraw/zinc/40/55/23/938405523.db2.gz ZOBYASUSHKQCAP-GOSISDBHSA-N 1 2 419.504 4.191 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000537901216 938405527 /nfs/dbraw/zinc/40/55/27/938405527.db2.gz ZOBYASUSHKQCAP-GOSISDBHSA-N 1 2 419.504 4.191 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)cc2F)c1 ZINC000538436082 938620044 /nfs/dbraw/zinc/62/00/44/938620044.db2.gz HLXYVKNCDQRJQY-FQEVSTJZSA-N 1 2 419.460 4.169 20 30 HIEDLO C=CCN1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)C1=O ZINC000538610572 938661086 /nfs/dbraw/zinc/66/10/86/938661086.db2.gz GEXDTTIQHKIEEB-MOPGFXCFSA-N 1 2 403.295 4.054 20 30 HIEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cccc(C#N)c2)c2ccc(F)cc2F)c1 ZINC000538709421 938687597 /nfs/dbraw/zinc/68/75/97/938687597.db2.gz IKBJVTXLIWKOHI-QFIPXVFZSA-N 1 2 412.461 4.119 20 30 HIEDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000538719584 938689924 /nfs/dbraw/zinc/68/99/24/938689924.db2.gz UCAGEKIBRWISHU-UHFFFAOYSA-N 1 2 420.534 4.173 20 30 HIEDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000538719584 938689927 /nfs/dbraw/zinc/68/99/27/938689927.db2.gz UCAGEKIBRWISHU-UHFFFAOYSA-N 1 2 420.534 4.173 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000538781270 938708491 /nfs/dbraw/zinc/70/84/91/938708491.db2.gz SICVNIBMBUDHLV-SFHVURJKSA-N 1 2 419.504 4.191 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000538781270 938708494 /nfs/dbraw/zinc/70/84/94/938708494.db2.gz SICVNIBMBUDHLV-SFHVURJKSA-N 1 2 419.504 4.191 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000538781269 938708550 /nfs/dbraw/zinc/70/85/50/938708550.db2.gz SICVNIBMBUDHLV-GOSISDBHSA-N 1 2 419.504 4.191 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000538781269 938708553 /nfs/dbraw/zinc/70/85/53/938708553.db2.gz SICVNIBMBUDHLV-GOSISDBHSA-N 1 2 419.504 4.191 20 30 HIEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000539143735 938810445 /nfs/dbraw/zinc/81/04/45/938810445.db2.gz KADZUDAWCHGYHV-OAQYLSRUSA-N 1 2 416.529 4.081 20 30 HIEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000539143735 938810446 /nfs/dbraw/zinc/81/04/46/938810446.db2.gz KADZUDAWCHGYHV-OAQYLSRUSA-N 1 2 416.529 4.081 20 30 HIEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000539219870 938820561 /nfs/dbraw/zinc/82/05/61/938820561.db2.gz TZZWZMMJDIDFLX-IBGZPJMESA-N 1 2 405.395 4.169 20 30 HIEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000539372416 938850666 /nfs/dbraw/zinc/85/06/66/938850666.db2.gz FLXGNADDSLAEJW-LJQANCHMSA-N 1 2 409.505 4.152 20 30 HIEDLO CSc1ccc([C@H](CNC(=O)c2c[nH]c(C#N)c2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000540910856 939415553 /nfs/dbraw/zinc/41/55/53/939415553.db2.gz LLONWYWROLEWRS-FQEVSTJZSA-N 1 2 422.579 4.199 20 30 HIEDLO CSc1ccc([C@H](CNC(=O)c2c[nH]c(C#N)c2)[N@H+]2CCc3sccc3C2)cc1 ZINC000540910856 939415554 /nfs/dbraw/zinc/41/55/54/939415554.db2.gz LLONWYWROLEWRS-FQEVSTJZSA-N 1 2 422.579 4.199 20 30 HIEDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000541632404 939577419 /nfs/dbraw/zinc/57/74/19/939577419.db2.gz DEVVREASNTYKOV-BXKDBHETSA-N 1 2 400.426 4.311 20 30 HIEDLO Cc1nc(NCc2cccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c2)cc[nH+]1 ZINC000541681362 939599627 /nfs/dbraw/zinc/59/96/27/939599627.db2.gz ATQVCZNVYMHTDV-UHFFFAOYSA-N 1 2 401.470 4.308 20 30 HIEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000543457154 940068304 /nfs/dbraw/zinc/06/83/04/940068304.db2.gz INEPCOQTWJPADO-AOMKIAJQSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000543457154 940068309 /nfs/dbraw/zinc/06/83/09/940068309.db2.gz INEPCOQTWJPADO-AOMKIAJQSA-N 1 2 410.949 4.288 20 30 HIEDLO N#Cc1cnc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c(Cl)c1 ZINC000544260866 940371314 /nfs/dbraw/zinc/37/13/14/940371314.db2.gz COKNOWJSKNVXKP-UHFFFAOYSA-N 1 2 423.731 4.308 20 30 HIEDLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000544466374 940443350 /nfs/dbraw/zinc/44/33/50/940443350.db2.gz IIHBJLOKUNKHEK-KBPBESRZSA-N 1 2 406.511 4.441 20 30 HIEDLO Cc1nc(NCc2cccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)cc[nH+]1 ZINC000544540638 940475397 /nfs/dbraw/zinc/47/53/97/940475397.db2.gz HTAMHSSFZILNPM-UHFFFAOYSA-N 1 2 409.493 4.198 20 30 HIEDLO Cc1cccn2cc(Cc3noc(-c4ccc(COc5ccccc5C#N)o4)n3)[nH+]c12 ZINC000544690932 940502812 /nfs/dbraw/zinc/50/28/12/940502812.db2.gz DGDFCFMJHWJOAA-UHFFFAOYSA-N 1 2 411.421 4.327 20 30 HIEDLO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000544723328 940507696 /nfs/dbraw/zinc/50/76/96/940507696.db2.gz XLQSNFBYZSFTGR-GOSISDBHSA-N 1 2 423.944 4.155 20 30 HIEDLO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000544723328 940507701 /nfs/dbraw/zinc/50/77/01/940507701.db2.gz XLQSNFBYZSFTGR-GOSISDBHSA-N 1 2 423.944 4.155 20 30 HIEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC2)n1 ZINC000546965544 940930811 /nfs/dbraw/zinc/93/08/11/940930811.db2.gz IXYAMWZBEJVAAB-UHFFFAOYSA-N 1 2 401.495 4.145 20 30 HIEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000548798078 941124409 /nfs/dbraw/zinc/12/44/09/941124409.db2.gz OPXXSVQONCJHAA-HNNXBMFYSA-N 1 2 417.340 4.123 20 30 HIEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000554885659 942307990 /nfs/dbraw/zinc/30/79/90/942307990.db2.gz FNVDBZHAWVJSLR-UHFFFAOYSA-N 1 2 408.483 4.239 20 30 HIEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000554885659 942307997 /nfs/dbraw/zinc/30/79/97/942307997.db2.gz FNVDBZHAWVJSLR-UHFFFAOYSA-N 1 2 408.483 4.239 20 30 HIEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000558477986 943570078 /nfs/dbraw/zinc/57/00/78/943570078.db2.gz SVTFXUGDGFDKGY-QGZVFWFLSA-N 1 2 407.489 4.017 20 30 HIEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000558477986 943570085 /nfs/dbraw/zinc/57/00/85/943570085.db2.gz SVTFXUGDGFDKGY-QGZVFWFLSA-N 1 2 407.489 4.017 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000558622694 943619878 /nfs/dbraw/zinc/61/98/78/943619878.db2.gz AFDHOMKYPSLPDH-FQEVSTJZSA-N 1 2 411.933 4.350 20 30 HIEDLO O=C(C[NH+]1CCC(CC(F)(F)F)CC1)NCc1ccc(F)cc1C(F)(F)F ZINC000572667853 947973934 /nfs/dbraw/zinc/97/39/34/947973934.db2.gz PPRMNOHCEHCACK-UHFFFAOYSA-N 1 2 400.338 4.125 20 30 HIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2)cc1 ZINC000574486487 948456696 /nfs/dbraw/zinc/45/66/96/948456696.db2.gz GZXPTWNLJYXRRI-ROUUACIJSA-N 1 2 417.513 4.285 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000574844656 948542103 /nfs/dbraw/zinc/54/21/03/948542103.db2.gz QSXADIGRIBEYQQ-UHFFFAOYSA-N 1 2 415.415 4.445 20 30 HIEDLO CC(C)c1ccc(C#N)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164674471 719496009 /nfs/dbraw/zinc/49/60/09/719496009.db2.gz YAEHEYLWKFPWIC-UHFFFAOYSA-N 1 2 408.521 4.087 20 30 HIEDLO CC(C)c1ccc(C#N)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164674471 719496020 /nfs/dbraw/zinc/49/60/20/719496020.db2.gz YAEHEYLWKFPWIC-UHFFFAOYSA-N 1 2 408.521 4.087 20 30 HIEDLO N#Cc1ccc(CN2CCC[N@@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000021406622 846438886 /nfs/dbraw/zinc/43/88/86/846438886.db2.gz GOCNAQMLQPYALU-SANMLTNESA-N 1 2 424.548 4.446 20 30 HIEDLO N#Cc1ccc(CN2CCC[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000021406622 846438901 /nfs/dbraw/zinc/43/89/01/846438901.db2.gz GOCNAQMLQPYALU-SANMLTNESA-N 1 2 424.548 4.446 20 30 HIEDLO CC(C)[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000025066541 846916408 /nfs/dbraw/zinc/91/64/08/846916408.db2.gz NPSVXKRCIXNQSZ-JOCHJYFZSA-N 1 2 410.949 4.436 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025258154 846949523 /nfs/dbraw/zinc/94/95/23/846949523.db2.gz FRGWHCHVYMBWMD-LBPRGKRZSA-N 1 2 423.460 4.466 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025258154 846949534 /nfs/dbraw/zinc/94/95/34/846949534.db2.gz FRGWHCHVYMBWMD-LBPRGKRZSA-N 1 2 423.460 4.466 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(Br)s1 ZINC000026815239 847202042 /nfs/dbraw/zinc/20/20/42/847202042.db2.gz AOZLEPUDPSKJKP-JTQLQIEISA-N 1 2 424.389 4.391 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(Br)s1 ZINC000026815239 847202047 /nfs/dbraw/zinc/20/20/47/847202047.db2.gz AOZLEPUDPSKJKP-JTQLQIEISA-N 1 2 424.389 4.391 20 30 HIEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000027105462 847249226 /nfs/dbraw/zinc/24/92/26/847249226.db2.gz DFPLOKFVFMJPCW-UHFFFAOYSA-N 1 2 402.376 4.147 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccccc1 ZINC000027776428 847350040 /nfs/dbraw/zinc/35/00/40/847350040.db2.gz OSMBPSIDPQNZQD-UHFFFAOYSA-N 1 2 402.498 4.245 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccccc1 ZINC000027776428 847350055 /nfs/dbraw/zinc/35/00/55/847350055.db2.gz OSMBPSIDPQNZQD-UHFFFAOYSA-N 1 2 402.498 4.245 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)Cc2ccsc2)cc1 ZINC000028638591 847439483 /nfs/dbraw/zinc/43/94/83/847439483.db2.gz AQXNUVJTNKNZQK-UHFFFAOYSA-N 1 2 408.527 4.106 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)Cc2ccsc2)cc1 ZINC000028638591 847439487 /nfs/dbraw/zinc/43/94/87/847439487.db2.gz AQXNUVJTNKNZQK-UHFFFAOYSA-N 1 2 408.527 4.106 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(OC4CCCC4)c3)CC2)cc1 ZINC000044203433 848529290 /nfs/dbraw/zinc/52/92/90/848529290.db2.gz CERPUKCRYSJOAT-UHFFFAOYSA-N 1 2 404.514 4.229 20 30 HIEDLO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000046225784 848807030 /nfs/dbraw/zinc/80/70/30/848807030.db2.gz QEMCOODJHVUMTI-HXUWFJFHSA-N 1 2 414.912 4.329 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)c1C#N ZINC000052803487 849628804 /nfs/dbraw/zinc/62/88/04/849628804.db2.gz FYNFNTMKDOQJNQ-FQEVSTJZSA-N 1 2 408.527 4.455 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)c1C#N ZINC000052803487 849628813 /nfs/dbraw/zinc/62/88/13/849628813.db2.gz FYNFNTMKDOQJNQ-FQEVSTJZSA-N 1 2 408.527 4.455 20 30 HIEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000056562779 850394832 /nfs/dbraw/zinc/39/48/32/850394832.db2.gz INXFNRJSPDWKMI-UHFFFAOYSA-N 1 2 400.548 4.358 20 30 HIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1C ZINC000058622920 850871106 /nfs/dbraw/zinc/87/11/06/850871106.db2.gz LYHUUBFYCGNTPF-UHFFFAOYSA-N 1 2 422.407 4.184 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000063300326 851654354 /nfs/dbraw/zinc/65/43/54/851654354.db2.gz HDWDVWLPOSFGAU-UHFFFAOYSA-N 1 2 419.916 4.083 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000063300326 851654363 /nfs/dbraw/zinc/65/43/63/851654363.db2.gz HDWDVWLPOSFGAU-UHFFFAOYSA-N 1 2 419.916 4.083 20 30 HIEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000096998660 852572109 /nfs/dbraw/zinc/57/21/09/852572109.db2.gz SZPJGCHDQCZGSG-UHFFFAOYSA-N 1 2 422.916 4.252 20 30 HIEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000096998660 852572118 /nfs/dbraw/zinc/57/21/18/852572118.db2.gz SZPJGCHDQCZGSG-UHFFFAOYSA-N 1 2 422.916 4.252 20 30 HIEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000108955376 852898519 /nfs/dbraw/zinc/89/85/19/852898519.db2.gz BJYCBIVZNZVVAN-QGZVFWFLSA-N 1 2 415.459 4.415 20 30 HIEDLO CC(C)c1ccc(NC(=O)CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000110271896 853082878 /nfs/dbraw/zinc/08/28/78/853082878.db2.gz IFTWTEKWQXFOIA-UHFFFAOYSA-N 1 2 418.497 4.060 20 30 HIEDLO Cc1ccc(-c2noc([C@H](C)[NH+]3CCN(c4cc(C#N)nc5ccccc54)CC3)n2)cc1 ZINC000301374915 854374587 /nfs/dbraw/zinc/37/45/87/854374587.db2.gz WZMKCFQDDGHPMF-SFHVURJKSA-N 1 2 424.508 4.348 20 30 HIEDLO C[C@@H](c1nnc(Sc2ccc(Cl)c(C#N)n2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301502465 854408905 /nfs/dbraw/zinc/40/89/05/854408905.db2.gz FMILJMQYDVOYQF-NSHDSACASA-N 1 2 402.886 4.100 20 30 HIEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301861727 854478416 /nfs/dbraw/zinc/47/84/16/854478416.db2.gz DWMUYLYRQNAMCQ-RDJZCZTQSA-N 1 2 410.827 4.109 20 30 HIEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301861727 854478418 /nfs/dbraw/zinc/47/84/18/854478418.db2.gz DWMUYLYRQNAMCQ-RDJZCZTQSA-N 1 2 410.827 4.109 20 30 HIEDLO N#Cc1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(Br)c1 ZINC000302195848 854547960 /nfs/dbraw/zinc/54/79/60/854547960.db2.gz XIUQVKSTNTWMTP-UHFFFAOYSA-N 1 2 407.315 4.323 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000303817192 855218889 /nfs/dbraw/zinc/21/88/89/855218889.db2.gz OPOYZMJGYLOPND-UHFFFAOYSA-N 1 2 405.420 4.195 20 30 HIEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000409727209 855622683 /nfs/dbraw/zinc/62/26/83/855622683.db2.gz KAROTVFDKIOCFS-WMZOPIPTSA-N 1 2 410.827 4.109 20 30 HIEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000409727209 855622689 /nfs/dbraw/zinc/62/26/89/855622689.db2.gz KAROTVFDKIOCFS-WMZOPIPTSA-N 1 2 410.827 4.109 20 30 HIEDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ccc1Cl ZINC000410333081 855934686 /nfs/dbraw/zinc/93/46/86/855934686.db2.gz MBBCIIQDDFEUJN-UHFFFAOYSA-N 1 2 417.840 4.093 20 30 HIEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000426114896 856117349 /nfs/dbraw/zinc/11/73/49/856117349.db2.gz VZTRMZCDJUHAIF-UHFFFAOYSA-N 1 2 405.458 4.110 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428711702 857306267 /nfs/dbraw/zinc/30/62/67/857306267.db2.gz LVWWCBAPUWWEOL-GHTZIAJQSA-N 1 2 404.505 4.397 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428711702 857306277 /nfs/dbraw/zinc/30/62/77/857306277.db2.gz LVWWCBAPUWWEOL-GHTZIAJQSA-N 1 2 404.505 4.397 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000429734663 857857145 /nfs/dbraw/zinc/85/71/45/857857145.db2.gz BSMZJFNGVPZTLJ-UHFFFAOYSA-N 1 2 401.514 4.184 20 30 HIEDLO Cc1nc(-c2ccccc2NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000433800637 859898632 /nfs/dbraw/zinc/89/86/32/859898632.db2.gz FFTKLOZCTFBCMG-UHFFFAOYSA-N 1 2 417.538 4.340 20 30 HIEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000434051399 860064560 /nfs/dbraw/zinc/06/45/60/860064560.db2.gz ZZJKJFYQPHVECR-LJQANCHMSA-N 1 2 403.413 4.178 20 30 HIEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000434983022 860585362 /nfs/dbraw/zinc/58/53/62/860585362.db2.gz OTYTUTOEXUGXMS-XMMPIXPASA-N 1 2 403.505 4.011 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CCc3cccc(Br)c3C2)c(-c2ccncc2)n1 ZINC000435126782 860653018 /nfs/dbraw/zinc/65/30/18/860653018.db2.gz QXBPRVAJVXXYPJ-UHFFFAOYSA-N 1 2 422.330 4.180 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CCc3cccc(Br)c3C2)c(-c2ccncc2)n1 ZINC000435126782 860653019 /nfs/dbraw/zinc/65/30/19/860653019.db2.gz QXBPRVAJVXXYPJ-UHFFFAOYSA-N 1 2 422.330 4.180 20 30 HIEDLO CCOCCCn1c2ccccc2[nH+]c1NCc1cccn1Cc1ccccc1C#N ZINC000438227429 863663126 /nfs/dbraw/zinc/66/31/26/863663126.db2.gz CFBKSUOHIIBMIH-UHFFFAOYSA-N 1 2 413.525 4.796 20 30 HIEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)cs1 ZINC000439590224 864913426 /nfs/dbraw/zinc/91/34/26/864913426.db2.gz AMJVDVMXMFALPP-AWEZNQCLSA-N 1 2 424.492 4.453 20 30 HIEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)cs1 ZINC000439590224 864913441 /nfs/dbraw/zinc/91/34/41/864913441.db2.gz AMJVDVMXMFALPP-AWEZNQCLSA-N 1 2 424.492 4.453 20 30 HIEDLO N#CC1CCC(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000440983017 866065563 /nfs/dbraw/zinc/06/55/63/866065563.db2.gz BCSVGHHPYDGTTH-RJYAGPCLSA-N 1 2 406.933 4.073 20 30 HIEDLO N#CC1CCC(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000440983017 866065579 /nfs/dbraw/zinc/06/55/79/866065579.db2.gz BCSVGHHPYDGTTH-RJYAGPCLSA-N 1 2 406.933 4.073 20 30 HIEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCCCOc2cccc(C#N)c2)c(C)c1 ZINC000441487751 866568478 /nfs/dbraw/zinc/56/84/78/866568478.db2.gz HCIQLHPVRIEBSQ-DEOSSOPVSA-N 1 2 416.525 4.478 20 30 HIEDLO C=CCc1ccc(OCC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(OC)c1 ZINC000441500042 866581461 /nfs/dbraw/zinc/58/14/61/866581461.db2.gz PHFXZZQTNUWQFT-QFIPXVFZSA-N 1 2 419.525 4.174 20 30 HIEDLO CCO[C@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cs1 ZINC000444252306 868699883 /nfs/dbraw/zinc/69/98/83/868699883.db2.gz ZRIAXLUVHDIMTM-CYBMUJFWSA-N 1 2 418.588 4.123 20 30 HIEDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cs1 ZINC000444252306 868699884 /nfs/dbraw/zinc/69/98/84/868699884.db2.gz ZRIAXLUVHDIMTM-CYBMUJFWSA-N 1 2 418.588 4.123 20 30 HIEDLO Cc1cc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)ccc1C#N ZINC000447286816 871183644 /nfs/dbraw/zinc/18/36/44/871183644.db2.gz VCLBEEKHYFTSJA-UHFFFAOYSA-N 1 2 403.555 4.395 20 30 HIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447852521 871769982 /nfs/dbraw/zinc/76/99/82/871769982.db2.gz APGIUQHHPCZGGL-DHIUTWEWSA-N 1 2 413.525 4.260 20 30 HIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447852521 871770004 /nfs/dbraw/zinc/77/00/04/871770004.db2.gz APGIUQHHPCZGGL-DHIUTWEWSA-N 1 2 413.525 4.260 20 30 HIEDLO C=C(C)Cn1c(-c2ccccn2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460959708 873856272 /nfs/dbraw/zinc/85/62/72/873856272.db2.gz NWTWEJAQPNHESJ-UHFFFAOYSA-N 1 2 417.561 4.054 20 30 HIEDLO CSc1cccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2cc(F)ccc2F)c1 ZINC000462178226 875276749 /nfs/dbraw/zinc/27/67/49/875276749.db2.gz UTTKIXAXQOMLGX-FCHUYYIVSA-N 1 2 415.509 4.174 20 30 HIEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](c1ccccc1)C2 ZINC000468910150 882966083 /nfs/dbraw/zinc/96/60/83/882966083.db2.gz IUIVGTZZOCJZKZ-HSZRJFAPSA-N 1 2 403.526 4.137 20 30 HIEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](c1ccccc1)C2 ZINC000468910150 882966093 /nfs/dbraw/zinc/96/60/93/882966093.db2.gz IUIVGTZZOCJZKZ-HSZRJFAPSA-N 1 2 403.526 4.137 20 30 HIEDLO C=CCc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc(OC)c1OC ZINC000463032054 876051152 /nfs/dbraw/zinc/05/11/52/876051152.db2.gz FETGUAJGBJSAAX-MRXNPFEDSA-N 1 2 400.544 4.013 20 30 HIEDLO N#CCCCOc1ccc[nH+]c1NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000466618429 880388350 /nfs/dbraw/zinc/38/83/50/880388350.db2.gz GDEOWPDEHZABHO-UHFFFAOYSA-N 1 2 403.273 4.264 20 30 HIEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](c2ccsc2)O1 ZINC000470199421 884511107 /nfs/dbraw/zinc/51/11/07/884511107.db2.gz YTBNHLYJPRQTMB-RDTXWAMCSA-N 1 2 415.584 4.351 20 30 HIEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](c2ccsc2)O1 ZINC000470199421 884511124 /nfs/dbraw/zinc/51/11/24/884511124.db2.gz YTBNHLYJPRQTMB-RDTXWAMCSA-N 1 2 415.584 4.351 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470961452 885459877 /nfs/dbraw/zinc/45/98/77/885459877.db2.gz SMUNYAPHYLKOGG-VQIMIIECSA-N 1 2 418.463 4.236 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470961452 885459888 /nfs/dbraw/zinc/45/98/88/885459888.db2.gz SMUNYAPHYLKOGG-VQIMIIECSA-N 1 2 418.463 4.236 20 30 HIEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccc1SC ZINC000471012772 885514822 /nfs/dbraw/zinc/51/48/22/885514822.db2.gz RUJGGNLIHCWUNQ-LJQANCHMSA-N 1 2 401.963 4.453 20 30 HIEDLO N#Cc1ccc(C2(C(=O)N[C@H]3CCC[N@@H+](Cc4ccc(F)cc4Cl)C3)CC2)cc1 ZINC000473533672 888271362 /nfs/dbraw/zinc/27/13/62/888271362.db2.gz OZMPVBDEHHFSCS-FQEVSTJZSA-N 1 2 411.908 4.163 20 30 HIEDLO N#Cc1ccc(C2(C(=O)N[C@H]3CCC[N@H+](Cc4ccc(F)cc4Cl)C3)CC2)cc1 ZINC000473533672 888271370 /nfs/dbraw/zinc/27/13/70/888271370.db2.gz OZMPVBDEHHFSCS-FQEVSTJZSA-N 1 2 411.908 4.163 20 30 HIEDLO Cc1c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cccc1C(F)(F)F ZINC000473833718 888669937 /nfs/dbraw/zinc/66/99/37/888669937.db2.gz YIZOCEYDPBAZLX-UHFFFAOYSA-N 1 2 402.420 4.235 20 30 HIEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc2cccc(F)c2o1 ZINC000473923100 888803486 /nfs/dbraw/zinc/80/34/86/888803486.db2.gz OXZZUXDYJACICB-INIZCTEOSA-N 1 2 406.461 4.032 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)NCc3ccn4cc[nH+]c4c3)cc2F)c1 ZINC000474597677 889464506 /nfs/dbraw/zinc/46/45/06/889464506.db2.gz NCMVTTWLRRJIBF-UHFFFAOYSA-N 1 2 415.428 4.246 20 30 HIEDLO N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000474740039 889596550 /nfs/dbraw/zinc/59/65/50/889596550.db2.gz RCKBTQLDWXSVAY-UHFFFAOYSA-N 1 2 411.465 4.301 20 30 HIEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)ccn1 ZINC000474784643 889641999 /nfs/dbraw/zinc/64/19/99/889641999.db2.gz RTRBNEAFQIYTFB-UHFFFAOYSA-N 1 2 422.941 4.293 20 30 HIEDLO N#Cc1ccc(OCC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000504814176 913534608 /nfs/dbraw/zinc/53/46/08/913534608.db2.gz QFOWNDGIHHTKIQ-UHFFFAOYSA-N 1 2 422.488 4.165 20 30 HIEDLO C=C(C)[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC000476849672 891821453 /nfs/dbraw/zinc/82/14/53/891821453.db2.gz INWCMHBHJLMCTJ-NRFANRHFSA-N 1 2 400.473 4.467 20 30 HIEDLO Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000505298765 913957590 /nfs/dbraw/zinc/95/75/90/913957590.db2.gz CZJMPZRMKPFVML-FQEVSTJZSA-N 1 2 417.538 4.215 20 30 HIEDLO N#Cc1cc(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1F ZINC000481713992 897104372 /nfs/dbraw/zinc/10/43/72/897104372.db2.gz POHZRUHKVJPNEZ-GOSISDBHSA-N 1 2 404.848 4.448 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000481820400 897193539 /nfs/dbraw/zinc/19/35/39/897193539.db2.gz CAVFPRFVPIFGBX-WDSOQIARSA-N 1 2 408.502 4.083 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000481820400 897193549 /nfs/dbraw/zinc/19/35/49/897193549.db2.gz CAVFPRFVPIFGBX-WDSOQIARSA-N 1 2 408.502 4.083 20 30 HIEDLO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000481983795 897377548 /nfs/dbraw/zinc/37/75/48/897377548.db2.gz LNMUJKSWMNLHRE-QHCPKHFHSA-N 1 2 402.450 4.178 20 30 HIEDLO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000481983795 897377556 /nfs/dbraw/zinc/37/75/56/897377556.db2.gz LNMUJKSWMNLHRE-QHCPKHFHSA-N 1 2 402.450 4.178 20 30 HIEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483235415 898879892 /nfs/dbraw/zinc/87/98/92/898879892.db2.gz LQUREHYSFUQZDY-INIZCTEOSA-N 1 2 417.200 4.302 20 30 HIEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000487376208 902169065 /nfs/dbraw/zinc/16/90/65/902169065.db2.gz MKWXXQRUSXGGLD-UHFFFAOYSA-N 1 2 413.468 4.047 20 30 HIEDLO CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccc1C(C)(C)C#N ZINC000487408428 902189660 /nfs/dbraw/zinc/18/96/60/902189660.db2.gz CAYVZVDELCIUMP-UHFFFAOYSA-N 1 2 403.448 4.255 20 30 HIEDLO CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccc1C(C)(C)C#N ZINC000487408428 902189665 /nfs/dbraw/zinc/18/96/65/902189665.db2.gz CAYVZVDELCIUMP-UHFFFAOYSA-N 1 2 403.448 4.255 20 30 HIEDLO Cc1ccc(-c2noc([C@H](C)N3CC[NH+]([C@H](C)c4cccc(C#N)c4)CC3)n2)cc1 ZINC000489819947 903613071 /nfs/dbraw/zinc/61/30/71/903613071.db2.gz SGOCHZQGRKLFPY-MOPGFXCFSA-N 1 2 401.514 4.357 20 30 HIEDLO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+]([C@@H](C)c4cccc(C#N)c4)CC3)n2)cc1 ZINC000489819949 903613227 /nfs/dbraw/zinc/61/32/27/903613227.db2.gz SGOCHZQGRKLFPY-RBUKOAKNSA-N 1 2 401.514 4.357 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1C ZINC000490042364 903737730 /nfs/dbraw/zinc/73/77/30/903737730.db2.gz IKKJGXTYJPOROC-AWEZNQCLSA-N 1 2 410.465 4.376 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490091896 903767123 /nfs/dbraw/zinc/76/71/23/903767123.db2.gz QJMUMNHBCVBUBK-RYUDHWBXSA-N 1 2 403.495 4.477 20 30 HIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000491081402 904416507 /nfs/dbraw/zinc/41/65/07/904416507.db2.gz BCQVHYWMIOBAFP-DEOSSOPVSA-N 1 2 420.557 4.122 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000512487251 921195278 /nfs/dbraw/zinc/19/52/78/921195278.db2.gz SGSKNOXMDFTHGR-LJQANCHMSA-N 1 2 409.313 4.262 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000512487251 921195285 /nfs/dbraw/zinc/19/52/85/921195285.db2.gz SGSKNOXMDFTHGR-LJQANCHMSA-N 1 2 409.313 4.262 20 30 HIEDLO C=CCc1cc(C[N@H+](CCO)Cc2cc(Br)ccc2F)cc(OC)c1O ZINC000512595258 921253562 /nfs/dbraw/zinc/25/35/62/921253562.db2.gz MFPZVBVDHRIHGH-UHFFFAOYSA-N 1 2 424.310 4.025 20 30 HIEDLO C=CCc1cc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)cc(OC)c1O ZINC000512595258 921253569 /nfs/dbraw/zinc/25/35/69/921253569.db2.gz MFPZVBVDHRIHGH-UHFFFAOYSA-N 1 2 424.310 4.025 20 30 HIEDLO CC[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497608561 907086761 /nfs/dbraw/zinc/08/67/61/907086761.db2.gz AJNKOIIEPIWDDO-HNNXBMFYSA-N 1 2 421.360 4.178 20 30 HIEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497608561 907086779 /nfs/dbraw/zinc/08/67/79/907086779.db2.gz AJNKOIIEPIWDDO-HNNXBMFYSA-N 1 2 421.360 4.178 20 30 HIEDLO CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512801039 921314221 /nfs/dbraw/zinc/31/42/21/921314221.db2.gz IWARUWWSZIMYPG-HNNXBMFYSA-N 1 2 413.518 4.290 20 30 HIEDLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000500639598 909984967 /nfs/dbraw/zinc/98/49/67/909984967.db2.gz WVQLNLAPTDWUBZ-UHFFFAOYSA-N 1 2 409.493 4.392 20 30 HIEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000500878078 910149962 /nfs/dbraw/zinc/14/99/62/910149962.db2.gz ZTYVFZYRKRDFFP-DEOSSOPVSA-N 1 2 420.534 4.158 20 30 HIEDLO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000502253055 911208747 /nfs/dbraw/zinc/20/87/47/911208747.db2.gz MACMIZHYIJNIEN-LACDCCNISA-N 1 2 411.427 4.454 20 30 HIEDLO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000502253055 911208772 /nfs/dbraw/zinc/20/87/72/911208772.db2.gz MACMIZHYIJNIEN-LACDCCNISA-N 1 2 411.427 4.454 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)c1C#N ZINC000507254046 916015044 /nfs/dbraw/zinc/01/50/44/916015044.db2.gz FQCWAKNQNNLKCC-HSZRJFAPSA-N 1 2 420.557 4.276 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1C#N ZINC000507254046 916015059 /nfs/dbraw/zinc/01/50/59/916015059.db2.gz FQCWAKNQNNLKCC-HSZRJFAPSA-N 1 2 420.557 4.276 20 30 HIEDLO N#Cc1cccc(COc2cccc(C[NH+]3CCN(C(=O)c4ccccc4)CC3)c2)c1 ZINC000507294944 916062492 /nfs/dbraw/zinc/06/24/92/916062492.db2.gz KBDHXNTYMUXNDT-UHFFFAOYSA-N 1 2 411.505 4.095 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC000508333924 917137719 /nfs/dbraw/zinc/13/77/19/917137719.db2.gz OLAAJSAXFGXGRF-UNMCSNQZSA-N 1 2 405.542 4.206 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC000508333924 917137724 /nfs/dbraw/zinc/13/77/24/917137724.db2.gz OLAAJSAXFGXGRF-UNMCSNQZSA-N 1 2 405.542 4.206 20 30 HIEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000511138649 919757215 /nfs/dbraw/zinc/75/72/15/919757215.db2.gz FWSICOVZSNIIGM-UHFFFAOYSA-N 1 2 411.449 4.248 20 30 HIEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000511138649 919757228 /nfs/dbraw/zinc/75/72/28/919757228.db2.gz FWSICOVZSNIIGM-UHFFFAOYSA-N 1 2 411.449 4.248 20 30 HIEDLO N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000511765157 920448658 /nfs/dbraw/zinc/44/86/58/920448658.db2.gz MWWVRBQJQHKSPH-INIZCTEOSA-N 1 2 406.288 4.399 20 30 HIEDLO N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000511765157 920448673 /nfs/dbraw/zinc/44/86/73/920448673.db2.gz MWWVRBQJQHKSPH-INIZCTEOSA-N 1 2 406.288 4.399 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000512218489 920966704 /nfs/dbraw/zinc/96/67/04/920966704.db2.gz KGUCRJYJQARYMA-HXUWFJFHSA-N 1 2 418.537 4.444 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000512218489 920966720 /nfs/dbraw/zinc/96/67/20/920966720.db2.gz KGUCRJYJQARYMA-HXUWFJFHSA-N 1 2 418.537 4.444 20 30 HIEDLO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1cccs1 ZINC000514113071 922444601 /nfs/dbraw/zinc/44/46/01/922444601.db2.gz NOGNDJSNSPPJCE-UHFFFAOYSA-N 1 2 414.575 4.240 20 30 HIEDLO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1cccs1 ZINC000514113071 922444612 /nfs/dbraw/zinc/44/46/12/922444612.db2.gz NOGNDJSNSPPJCE-UHFFFAOYSA-N 1 2 414.575 4.240 20 30 HIEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000514975999 922862366 /nfs/dbraw/zinc/86/23/66/922862366.db2.gz SANGEQISCOBTJM-UHFFFAOYSA-N 1 2 403.526 4.106 20 30 HIEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000514975999 922862373 /nfs/dbraw/zinc/86/23/73/922862373.db2.gz SANGEQISCOBTJM-UHFFFAOYSA-N 1 2 403.526 4.106 20 30 HIEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)N(Cc3ccco3)c3ccccc3)CC2)c1 ZINC000517132941 924018577 /nfs/dbraw/zinc/01/85/77/924018577.db2.gz DOZZMNSCGNIVMV-UHFFFAOYSA-N 1 2 415.493 4.228 20 30 HIEDLO N#Cc1ccccc1OC1CCC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000517665728 926770790 /nfs/dbraw/zinc/77/07/90/926770790.db2.gz OBGZQIVBBUABSB-UHFFFAOYSA-N 1 2 410.481 4.489 20 30 HIEDLO Cc1nc(SCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(C#N)c(C)c1C ZINC000517666554 926772791 /nfs/dbraw/zinc/77/27/91/926772791.db2.gz IPYLVSOBYQQKPB-UHFFFAOYSA-N 1 2 415.588 4.052 20 30 HIEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000517704702 926803701 /nfs/dbraw/zinc/80/37/01/926803701.db2.gz GAAAORVVTFTWCO-HXUWFJFHSA-N 1 2 414.912 4.157 20 30 HIEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000517704702 926803710 /nfs/dbraw/zinc/80/37/10/926803710.db2.gz GAAAORVVTFTWCO-HXUWFJFHSA-N 1 2 414.912 4.157 20 30 HIEDLO Cc1nc(SCC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c(C#N)c(C)c1C ZINC000517856397 926864608 /nfs/dbraw/zinc/86/46/08/926864608.db2.gz OLNCYIMCPHSFNX-SFHVURJKSA-N 1 2 424.570 4.003 20 30 HIEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000525121634 930048225 /nfs/dbraw/zinc/04/82/25/930048225.db2.gz WNRLVFHGKVLSAA-HSZRJFAPSA-N 1 2 406.526 4.222 20 30 HIEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000525121634 930048226 /nfs/dbraw/zinc/04/82/26/930048226.db2.gz WNRLVFHGKVLSAA-HSZRJFAPSA-N 1 2 406.526 4.222 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2sc(CC)nc2C)cc1 ZINC000525120905 930048553 /nfs/dbraw/zinc/04/85/53/930048553.db2.gz CNYVMPIIYUBMBG-QGZVFWFLSA-N 1 2 414.575 4.352 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2sc(CC)nc2C)cc1 ZINC000525120905 930048555 /nfs/dbraw/zinc/04/85/55/930048555.db2.gz CNYVMPIIYUBMBG-QGZVFWFLSA-N 1 2 414.575 4.352 20 30 HIEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000525121635 930048629 /nfs/dbraw/zinc/04/86/29/930048629.db2.gz WNRLVFHGKVLSAA-QHCPKHFHSA-N 1 2 406.526 4.222 20 30 HIEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000525121635 930048632 /nfs/dbraw/zinc/04/86/32/930048632.db2.gz WNRLVFHGKVLSAA-QHCPKHFHSA-N 1 2 406.526 4.222 20 30 HIEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000531650436 931140601 /nfs/dbraw/zinc/14/06/01/931140601.db2.gz AWDMCNLDPLDHEE-SNVBAGLBSA-N 1 2 418.328 4.301 20 30 HIEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000531650436 931140604 /nfs/dbraw/zinc/14/06/04/931140604.db2.gz AWDMCNLDPLDHEE-SNVBAGLBSA-N 1 2 418.328 4.301 20 30 HIEDLO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000532469616 931450495 /nfs/dbraw/zinc/45/04/95/931450495.db2.gz SJABUBNYYZDKQN-LJQANCHMSA-N 1 2 421.541 4.014 20 30 HIEDLO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000532469616 931450500 /nfs/dbraw/zinc/45/05/00/931450500.db2.gz SJABUBNYYZDKQN-LJQANCHMSA-N 1 2 421.541 4.014 20 30 HIEDLO C=CCN(C(=O)C[N@@H+](C)CCOC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000532483895 931456348 /nfs/dbraw/zinc/45/63/48/931456348.db2.gz LOIDAWDBLIUQGN-UHFFFAOYSA-N 1 2 414.358 4.214 20 30 HIEDLO C=CCN(C(=O)C[N@H+](C)CCOC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000532483895 931456352 /nfs/dbraw/zinc/45/63/52/931456352.db2.gz LOIDAWDBLIUQGN-UHFFFAOYSA-N 1 2 414.358 4.214 20 30 HIEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(OC)c1 ZINC000532491384 931459245 /nfs/dbraw/zinc/45/92/45/931459245.db2.gz ZDYDYEGIYRKHPH-INIZCTEOSA-N 1 2 413.543 4.169 20 30 HIEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(OC)c1 ZINC000532491384 931459246 /nfs/dbraw/zinc/45/92/46/931459246.db2.gz ZDYDYEGIYRKHPH-INIZCTEOSA-N 1 2 413.543 4.169 20 30 HIEDLO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000532584310 931542577 /nfs/dbraw/zinc/54/25/77/931542577.db2.gz RFLQEINDVSQOAD-INIZCTEOSA-N 1 2 409.555 4.325 20 30 HIEDLO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000532584310 931542592 /nfs/dbraw/zinc/54/25/92/931542592.db2.gz RFLQEINDVSQOAD-INIZCTEOSA-N 1 2 409.555 4.325 20 30 HIEDLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)ccc1OCc1cccc(C#N)c1 ZINC000533057568 931756354 /nfs/dbraw/zinc/75/63/54/931756354.db2.gz XYYXDVIVWOEUEB-NRFANRHFSA-N 1 2 408.498 4.062 20 30 HIEDLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)ccc1OCc1cccc(C#N)c1 ZINC000533057568 931756361 /nfs/dbraw/zinc/75/63/61/931756361.db2.gz XYYXDVIVWOEUEB-NRFANRHFSA-N 1 2 408.498 4.062 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(Br)s1 ZINC000533230903 931814989 /nfs/dbraw/zinc/81/49/89/931814989.db2.gz QEKZVQFYALYFLB-CYBMUJFWSA-N 1 2 424.339 4.417 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000533230903 931814991 /nfs/dbraw/zinc/81/49/91/931814991.db2.gz QEKZVQFYALYFLB-CYBMUJFWSA-N 1 2 424.339 4.417 20 30 HIEDLO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 ZINC000533289497 931829307 /nfs/dbraw/zinc/82/93/07/931829307.db2.gz NBFROIPHMFOKNT-FQEVSTJZSA-N 1 2 403.486 4.201 20 30 HIEDLO Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 ZINC000533289497 931829310 /nfs/dbraw/zinc/82/93/10/931829310.db2.gz NBFROIPHMFOKNT-FQEVSTJZSA-N 1 2 403.486 4.201 20 30 HIEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000533483150 931881335 /nfs/dbraw/zinc/88/13/35/931881335.db2.gz DMJJWQOBHPHYIF-SFHVURJKSA-N 1 2 409.530 4.181 20 30 HIEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000533483150 931881336 /nfs/dbraw/zinc/88/13/36/931881336.db2.gz DMJJWQOBHPHYIF-SFHVURJKSA-N 1 2 409.530 4.181 20 30 HIEDLO N#Cc1ccc(NC(=O)CNc2cccc3c2CN(c2cccc[nH+]2)C3)cc1Cl ZINC000535514445 933207471 /nfs/dbraw/zinc/20/74/71/933207471.db2.gz XXJZLBSUDQNKQK-UHFFFAOYSA-N 1 2 403.873 4.177 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc2F)c1 ZINC000538436083 938620111 /nfs/dbraw/zinc/62/01/11/938620111.db2.gz HLXYVKNCDQRJQY-HXUWFJFHSA-N 1 2 419.460 4.169 20 30 HIEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc(OC)c1O ZINC000538764244 938705034 /nfs/dbraw/zinc/70/50/34/938705034.db2.gz WJJPHDSSLYRWHY-FQEVSTJZSA-N 1 2 405.441 4.304 20 30 HIEDLO C=CCc1cc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc(OC)c1O ZINC000538764244 938705037 /nfs/dbraw/zinc/70/50/37/938705037.db2.gz WJJPHDSSLYRWHY-FQEVSTJZSA-N 1 2 405.441 4.304 20 30 HIEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000539143734 938810336 /nfs/dbraw/zinc/81/03/36/938810336.db2.gz KADZUDAWCHGYHV-NRFANRHFSA-N 1 2 416.529 4.081 20 30 HIEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000539143734 938810339 /nfs/dbraw/zinc/81/03/39/938810339.db2.gz KADZUDAWCHGYHV-NRFANRHFSA-N 1 2 416.529 4.081 20 30 HIEDLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1Br ZINC000539271348 938831103 /nfs/dbraw/zinc/83/11/03/938831103.db2.gz YKDIBVAUSPHCSE-GFCCVEGCSA-N 1 2 413.275 4.230 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1c(Br)cc(C)cc1Br)C1CC1 ZINC000540053871 939051387 /nfs/dbraw/zinc/05/13/87/939051387.db2.gz JBKNVSWPSUFFSV-UHFFFAOYSA-N 1 2 402.130 4.109 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1c(Br)cc(C)cc1Br)C1CC1 ZINC000540053871 939051391 /nfs/dbraw/zinc/05/13/91/939051391.db2.gz JBKNVSWPSUFFSV-UHFFFAOYSA-N 1 2 402.130 4.109 20 30 HIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540389495 939226881 /nfs/dbraw/zinc/22/68/81/939226881.db2.gz CTKDDLWGXNOLSU-INIZCTEOSA-N 1 2 424.464 4.106 20 30 HIEDLO CSc1ccc([C@H](CNC(=O)NC[C@@H](C)C#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000541016856 939431776 /nfs/dbraw/zinc/43/17/76/939431776.db2.gz MJEYOEFVYKNCKB-KXBFYZLASA-N 1 2 414.600 4.028 20 30 HIEDLO CSc1ccc([C@H](CNC(=O)NC[C@@H](C)C#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000541016856 939431778 /nfs/dbraw/zinc/43/17/78/939431778.db2.gz MJEYOEFVYKNCKB-KXBFYZLASA-N 1 2 414.600 4.028 20 30 HIEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541693895 939607100 /nfs/dbraw/zinc/60/71/00/939607100.db2.gz XRTUOLWZZUMROH-UHFFFAOYSA-N 1 2 402.498 4.234 20 30 HIEDLO N#Cc1ccc(CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C2CC2)cc1 ZINC000542377174 939810258 /nfs/dbraw/zinc/81/02/58/939810258.db2.gz FIUVCAQFXABQRQ-UHFFFAOYSA-N 1 2 401.470 4.030 20 30 HIEDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000542556917 939843353 /nfs/dbraw/zinc/84/33/53/939843353.db2.gz LNDLDMAAVSROKO-RHSMWYFYSA-N 1 2 401.532 4.094 20 30 HIEDLO Cc1nc(NCc2cccc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)c2)cc[nH+]1 ZINC000543495736 940084450 /nfs/dbraw/zinc/08/44/50/940084450.db2.gz RJIHXQYMHPJQTF-UHFFFAOYSA-N 1 2 424.426 4.197 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000544470491 940445436 /nfs/dbraw/zinc/44/54/36/940445436.db2.gz ABHCDBLCXXVVAJ-ZWKOTPCHSA-N 1 2 418.497 4.336 20 30 HIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2)cc1 ZINC000544517892 940469137 /nfs/dbraw/zinc/46/91/37/940469137.db2.gz CSDZLOVUOYLXJU-FJJGWFQOSA-N 1 2 423.561 4.269 20 30 HIEDLO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000546831484 940890337 /nfs/dbraw/zinc/89/03/37/940890337.db2.gz MXAQKMODTUNNDB-SFHVURJKSA-N 1 2 423.944 4.223 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000548798804 941124551 /nfs/dbraw/zinc/12/45/51/941124551.db2.gz FPZRHIWLUZKLRF-DEOSSOPVSA-N 1 2 424.548 4.039 20 30 HIEDLO C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549259836 941174812 /nfs/dbraw/zinc/17/48/12/941174812.db2.gz GTHDXOYDGFFFNH-UHFFFAOYSA-N 1 2 424.552 4.392 20 30 HIEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000549296368 941177975 /nfs/dbraw/zinc/17/79/75/941177975.db2.gz CYNHYJUBOKSNJX-FQEVSTJZSA-N 1 2 401.505 4.283 20 30 HIEDLO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)C1=O ZINC000549446135 941190848 /nfs/dbraw/zinc/19/08/48/941190848.db2.gz LOUIGUIUIMASHE-SMDDNHRTSA-N 1 2 412.349 4.304 20 30 HIEDLO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)C1=O ZINC000549446135 941190849 /nfs/dbraw/zinc/19/08/49/941190849.db2.gz LOUIGUIUIMASHE-SMDDNHRTSA-N 1 2 412.349 4.304 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC000554069514 942029158 /nfs/dbraw/zinc/02/91/58/942029158.db2.gz UDEFDZZIOLOWPR-UHFFFAOYSA-N 1 2 419.300 4.236 20 30 HIEDLO N#Cc1ccnc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)c1 ZINC000555554100 942640273 /nfs/dbraw/zinc/64/02/73/942640273.db2.gz ZHJCSKZDIGELDK-UHFFFAOYSA-N 1 2 422.941 4.293 20 30 HIEDLO C=CCC(CC=C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000559307568 943893566 /nfs/dbraw/zinc/89/35/66/943893566.db2.gz VUVQYZWUJAJVIC-UHFFFAOYSA-N 1 2 402.336 4.443 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)c(-c2ccncc2)n1 ZINC000560276864 944217049 /nfs/dbraw/zinc/21/70/49/944217049.db2.gz RAJLLKWJBDCMJS-JOCHJYFZSA-N 1 2 411.431 4.208 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)c(-c2ccncc2)n1 ZINC000560276864 944217061 /nfs/dbraw/zinc/21/70/61/944217061.db2.gz RAJLLKWJBDCMJS-JOCHJYFZSA-N 1 2 411.431 4.208 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000560726842 944312044 /nfs/dbraw/zinc/31/20/44/944312044.db2.gz YBNBZIFUGRALNG-LJQANCHMSA-N 1 2 406.530 4.394 20 30 HIEDLO N#Cc1cc(Br)ccc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000561886782 944837661 /nfs/dbraw/zinc/83/76/61/944837661.db2.gz MLQGSANSXLARKO-UHFFFAOYSA-N 1 2 424.136 4.078 20 30 HIEDLO N#Cc1cc(Br)ccc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000561886782 944837665 /nfs/dbraw/zinc/83/76/65/944837665.db2.gz MLQGSANSXLARKO-UHFFFAOYSA-N 1 2 424.136 4.078 20 30 HIEDLO C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000569944590 947048231 /nfs/dbraw/zinc/04/82/31/947048231.db2.gz OOSDXPRXMNTNCT-UHFFFAOYSA-N 1 2 412.900 4.035 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cn(-c4ccccc4Br)nn3)CC2)cc1 ZINC000570767313 947353674 /nfs/dbraw/zinc/35/36/74/947353674.db2.gz LMXDOGUCJPHUHI-UHFFFAOYSA-N 1 2 420.314 4.191 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cn(-c4ccccc4Br)nn3)CC2)cc1 ZINC000570767313 947353691 /nfs/dbraw/zinc/35/36/91/947353691.db2.gz LMXDOGUCJPHUHI-UHFFFAOYSA-N 1 2 420.314 4.191 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1C#N ZINC000572050854 947833171 /nfs/dbraw/zinc/83/31/71/947833171.db2.gz TULCGIFHSHHNJK-ZDUSSCGKSA-N 1 2 404.436 4.021 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1C#N ZINC000572050854 947833178 /nfs/dbraw/zinc/83/31/78/947833178.db2.gz TULCGIFHSHHNJK-ZDUSSCGKSA-N 1 2 404.436 4.021 20 30 HIEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000573035894 948065430 /nfs/dbraw/zinc/06/54/30/948065430.db2.gz RZLXLYNAVWVUDN-UHFFFAOYSA-N 1 2 404.535 4.443 20 30 HIEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000573035894 948065443 /nfs/dbraw/zinc/06/54/43/948065443.db2.gz RZLXLYNAVWVUDN-UHFFFAOYSA-N 1 2 404.535 4.443 20 30 HIEDLO N#Cc1ccccc1COc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000574798819 948530281 /nfs/dbraw/zinc/53/02/81/948530281.db2.gz LORZKFCIEDVIIG-RBBKRZOGSA-N 1 2 416.481 4.113 20 30 HIEDLO N#Cc1ccccc1COc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000574798819 948530296 /nfs/dbraw/zinc/53/02/96/948530296.db2.gz LORZKFCIEDVIIG-RBBKRZOGSA-N 1 2 416.481 4.113 20 30 HIEDLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1cccc(C#N)c1 ZINC000026325865 847127052 /nfs/dbraw/zinc/12/70/52/847127052.db2.gz CJWXEMVPHLZWNL-LJQANCHMSA-N 1 2 404.495 4.022 20 30 HIEDLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1cccc(C#N)c1 ZINC000026325865 847127059 /nfs/dbraw/zinc/12/70/59/847127059.db2.gz CJWXEMVPHLZWNL-LJQANCHMSA-N 1 2 404.495 4.022 20 30 HIEDLO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1nc(-c2ccco2)cs1 ZINC000052315300 849569577 /nfs/dbraw/zinc/56/95/77/849569577.db2.gz POXCUNQUTRGZAX-OAHLLOKOSA-N 1 2 410.499 4.342 20 30 HIEDLO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1nc(-c2ccco2)cs1 ZINC000052315300 849569589 /nfs/dbraw/zinc/56/95/89/849569589.db2.gz POXCUNQUTRGZAX-OAHLLOKOSA-N 1 2 410.499 4.342 20 30 HIEDLO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1nc(-c2ccco2)cs1 ZINC000052315301 849570056 /nfs/dbraw/zinc/57/00/56/849570056.db2.gz POXCUNQUTRGZAX-HNNXBMFYSA-N 1 2 410.499 4.342 20 30 HIEDLO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1nc(-c2ccco2)cs1 ZINC000052315301 849570061 /nfs/dbraw/zinc/57/00/61/849570061.db2.gz POXCUNQUTRGZAX-HNNXBMFYSA-N 1 2 410.499 4.342 20 30 HIEDLO NC(=[NH+]OCc1nnc(-c2ccccc2)o1)c1ccc(OCc2ccccc2)cc1 ZINC000109438116 852970585 /nfs/dbraw/zinc/97/05/85/852970585.db2.gz FELCZJZEIPRSPZ-UHFFFAOYSA-N 1 2 400.438 4.153 20 30 HIEDLO C=CC[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(OC)cc1 ZINC000111047811 853193546 /nfs/dbraw/zinc/19/35/46/853193546.db2.gz HYPDPXNXRYTSPM-QFIPXVFZSA-N 1 2 407.539 4.046 20 30 HIEDLO C=CC[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(OC)cc1 ZINC000111047811 853193555 /nfs/dbraw/zinc/19/35/55/853193555.db2.gz HYPDPXNXRYTSPM-QFIPXVFZSA-N 1 2 407.539 4.046 20 30 HIEDLO C=C(C)COc1cc(C[NH2+][C@H](c2nccn2C)c2ccc(OC)cc2)ccc1OC ZINC000142880689 853503268 /nfs/dbraw/zinc/50/32/68/853503268.db2.gz DQWFCNCDJMFCQG-QHCPKHFHSA-N 1 2 407.514 4.271 20 30 HIEDLO CC(=O)N(c1nc(C[NH2+]Cc2cccc(OCC#N)c2)cs1)c1ccc(C)cc1 ZINC000236743902 853918472 /nfs/dbraw/zinc/91/84/72/853918472.db2.gz XEXRKECQGGVQLT-UHFFFAOYSA-N 1 2 406.511 4.328 20 30 HIEDLO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1OCCCC#N ZINC000237295636 854000462 /nfs/dbraw/zinc/00/04/62/854000462.db2.gz IHXDXWDBGSUZDP-HNNXBMFYSA-N 1 2 410.449 4.418 20 30 HIEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000261404535 854250912 /nfs/dbraw/zinc/25/09/12/854250912.db2.gz ZSQBEFARTWSKAB-UHFFFAOYSA-N 1 2 416.294 4.302 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000303542596 855028848 /nfs/dbraw/zinc/02/88/48/855028848.db2.gz IDEOMAUIYBRBQT-UHFFFAOYSA-N 1 2 400.482 4.154 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303646266 855101331 /nfs/dbraw/zinc/10/13/31/855101331.db2.gz COVPEHMAAAZQQB-GFCCVEGCSA-N 1 2 414.415 4.468 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303646266 855101335 /nfs/dbraw/zinc/10/13/35/855101335.db2.gz COVPEHMAAAZQQB-GFCCVEGCSA-N 1 2 414.415 4.468 20 30 HIEDLO O=C(c1ccccc1F)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426366489 856260046 /nfs/dbraw/zinc/26/00/46/856260046.db2.gz RCTSQGSWZJRBAQ-UHFFFAOYSA-N 1 2 404.407 4.044 20 30 HIEDLO O=C(c1ccccc1F)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426366489 856260056 /nfs/dbraw/zinc/26/00/56/856260056.db2.gz RCTSQGSWZJRBAQ-UHFFFAOYSA-N 1 2 404.407 4.044 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000428586507 857272810 /nfs/dbraw/zinc/27/28/10/857272810.db2.gz OKKUFHZGEMOCLJ-UHFFFAOYSA-N 1 2 423.561 4.129 20 30 HIEDLO Cc1cc(F)ccc1C1CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000428711276 857306578 /nfs/dbraw/zinc/30/65/78/857306578.db2.gz OCELOABTNXRDJG-UHFFFAOYSA-N 1 2 417.488 4.010 20 30 HIEDLO C=CCC[C@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000434288007 860253962 /nfs/dbraw/zinc/25/39/62/860253962.db2.gz PMTVGSFDNPHRFL-APWZRJJASA-N 1 2 413.484 4.075 20 30 HIEDLO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1nc(C2CCCCC2)no1 ZINC000434987598 860586713 /nfs/dbraw/zinc/58/67/13/860586713.db2.gz VHOGKCWPUSJACZ-INIZCTEOSA-N 1 2 405.506 4.140 20 30 HIEDLO N#Cc1cccc(C2(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4Cl)C3)CC2)c1 ZINC000434998228 860590857 /nfs/dbraw/zinc/59/08/57/860590857.db2.gz CJOLVPOMVOANAA-HXUWFJFHSA-N 1 2 411.908 4.163 20 30 HIEDLO N#Cc1cccc(C2(C(=O)N[C@@H]3CCC[N@H+](Cc4ccc(F)cc4Cl)C3)CC2)c1 ZINC000434998228 860590862 /nfs/dbraw/zinc/59/08/62/860590862.db2.gz CJOLVPOMVOANAA-HXUWFJFHSA-N 1 2 411.908 4.163 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(-c2ccncc2)n1 ZINC000435126932 860653009 /nfs/dbraw/zinc/65/30/09/860653009.db2.gz SKMBYSTYJHJRKA-NRFANRHFSA-N 1 2 407.905 4.086 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(-c2ccncc2)n1 ZINC000435126932 860653011 /nfs/dbraw/zinc/65/30/11/860653011.db2.gz SKMBYSTYJHJRKA-NRFANRHFSA-N 1 2 407.905 4.086 20 30 HIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000438064335 863439417 /nfs/dbraw/zinc/43/94/17/863439417.db2.gz JNYQMABHIVXTJF-UNMCSNQZSA-N 1 2 415.497 4.266 20 30 HIEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)ccc1OCc1cccc(C#N)c1 ZINC000438560005 863993264 /nfs/dbraw/zinc/99/32/64/863993264.db2.gz UJGUEDPTMMLVCE-XMMPIXPASA-N 1 2 404.466 4.312 20 30 HIEDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)ccc1OCc1cccc(C#N)c1 ZINC000438560005 863993279 /nfs/dbraw/zinc/99/32/79/863993279.db2.gz UJGUEDPTMMLVCE-XMMPIXPASA-N 1 2 404.466 4.312 20 30 HIEDLO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000438652259 864093828 /nfs/dbraw/zinc/09/38/28/864093828.db2.gz AQLMOUZVLQXRAS-UHFFFAOYSA-N 1 2 416.481 4.028 20 30 HIEDLO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000439605975 864928129 /nfs/dbraw/zinc/92/81/29/864928129.db2.gz CTZDISBTFOUVBL-UHFFFAOYSA-N 1 2 421.545 4.003 20 30 HIEDLO CC(C)(C)Oc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000439641362 864968129 /nfs/dbraw/zinc/96/81/29/864968129.db2.gz CUXWWOOFPBZCST-GOSISDBHSA-N 1 2 405.420 4.071 20 30 HIEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(C(=O)c4ccc(Cl)cc4)CC3)o2)cc1 ZINC000441223871 866300931 /nfs/dbraw/zinc/30/09/31/866300931.db2.gz YVAJAZGEDAAGLX-UHFFFAOYSA-N 1 2 406.873 4.357 20 30 HIEDLO C=CCOc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1OC ZINC000441993616 867048417 /nfs/dbraw/zinc/04/84/17/867048417.db2.gz GQBRGCGGDSABDT-OAQYLSRUSA-N 1 2 405.498 4.245 20 30 HIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442078035 867108330 /nfs/dbraw/zinc/10/83/30/867108330.db2.gz KPMYZHRIZHTQHG-ZDUSSCGKSA-N 1 2 424.448 4.429 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccccc1 ZINC000444040230 868577901 /nfs/dbraw/zinc/57/79/01/868577901.db2.gz WKOMEPUIUTYUGM-UHFFFAOYSA-N 1 2 408.483 4.345 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccccc1 ZINC000444040230 868577910 /nfs/dbraw/zinc/57/79/10/868577910.db2.gz WKOMEPUIUTYUGM-UHFFFAOYSA-N 1 2 408.483 4.345 20 30 HIEDLO COCC[N@H+](CC(=O)c1cc(C)n(Cc2cccs2)c1C)Cc1ccc(C#N)cc1 ZINC000444244538 868692158 /nfs/dbraw/zinc/69/21/58/868692158.db2.gz IMIJHLLVEFSQQQ-UHFFFAOYSA-N 1 2 421.566 4.418 20 30 HIEDLO COCC[N@@H+](CC(=O)c1cc(C)n(Cc2cccs2)c1C)Cc1ccc(C#N)cc1 ZINC000444244538 868692164 /nfs/dbraw/zinc/69/21/64/868692164.db2.gz IMIJHLLVEFSQQQ-UHFFFAOYSA-N 1 2 421.566 4.418 20 30 HIEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444682512 868956358 /nfs/dbraw/zinc/95/63/58/868956358.db2.gz AFAPQVRETKCHIF-QHCPKHFHSA-N 1 2 400.526 4.300 20 30 HIEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444682512 868956364 /nfs/dbraw/zinc/95/63/64/868956364.db2.gz AFAPQVRETKCHIF-QHCPKHFHSA-N 1 2 400.526 4.300 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000445243941 869299919 /nfs/dbraw/zinc/29/99/19/869299919.db2.gz YIONQJXDKAODFD-SFHVURJKSA-N 1 2 401.470 4.496 20 30 HIEDLO N#Cc1ccc(Oc2cccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)c2)cc1 ZINC000445815074 869837324 /nfs/dbraw/zinc/83/73/24/869837324.db2.gz GNYORYIFZKKPDT-WIYYLYMNSA-N 1 2 402.454 4.326 20 30 HIEDLO N#Cc1ccc(Oc2cccc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)c2)cc1 ZINC000445815074 869837326 /nfs/dbraw/zinc/83/73/26/869837326.db2.gz GNYORYIFZKKPDT-WIYYLYMNSA-N 1 2 402.454 4.326 20 30 HIEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000446557746 870470914 /nfs/dbraw/zinc/47/09/14/870470914.db2.gz QLZDLPSWALSTDL-UHFFFAOYSA-N 1 2 420.557 4.420 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000446701341 870616824 /nfs/dbraw/zinc/61/68/24/870616824.db2.gz MLQPVADXTACBHT-UHFFFAOYSA-N 1 2 423.432 4.113 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000460354682 872975111 /nfs/dbraw/zinc/97/51/11/872975111.db2.gz AUXLYLPNQONSGN-AOMKIAJQSA-N 1 2 417.513 4.035 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000460354682 872975136 /nfs/dbraw/zinc/97/51/36/872975136.db2.gz AUXLYLPNQONSGN-AOMKIAJQSA-N 1 2 417.513 4.035 20 30 HIEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](c1ccccc1)C2 ZINC000468911856 882969645 /nfs/dbraw/zinc/96/96/45/882969645.db2.gz IUIVGTZZOCJZKZ-QHCPKHFHSA-N 1 2 403.526 4.137 20 30 HIEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](c1ccccc1)C2 ZINC000468911856 882969656 /nfs/dbraw/zinc/96/96/56/882969656.db2.gz IUIVGTZZOCJZKZ-QHCPKHFHSA-N 1 2 403.526 4.137 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)cc2F)c1 ZINC000468984490 883049883 /nfs/dbraw/zinc/04/98/83/883049883.db2.gz MSNSJXHTIRBVGL-QHCPKHFHSA-N 1 2 415.468 4.489 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)cc2F)c1 ZINC000468984490 883049903 /nfs/dbraw/zinc/04/99/03/883049903.db2.gz MSNSJXHTIRBVGL-QHCPKHFHSA-N 1 2 415.468 4.489 20 30 HIEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 ZINC000464830916 878088361 /nfs/dbraw/zinc/08/83/61/878088361.db2.gz BOKQHXHGAZEULI-JXFKEZNVSA-N 1 2 403.486 4.057 20 30 HIEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 ZINC000464830916 878088380 /nfs/dbraw/zinc/08/83/80/878088380.db2.gz BOKQHXHGAZEULI-JXFKEZNVSA-N 1 2 403.486 4.057 20 30 HIEDLO CCCCOC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000464860976 878142546 /nfs/dbraw/zinc/14/25/46/878142546.db2.gz RUVJWMOXPQWUFX-MRXNPFEDSA-N 1 2 403.592 4.497 20 30 HIEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000464863144 878144293 /nfs/dbraw/zinc/14/42/93/878144293.db2.gz OICLJBHLLKCFGD-UHFFFAOYSA-N 1 2 400.482 4.164 20 30 HIEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000465572403 879046478 /nfs/dbraw/zinc/04/64/78/879046478.db2.gz XYTZPZPBDOVTQG-FCHUYYIVSA-N 1 2 403.530 4.053 20 30 HIEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)c1ccccc1 ZINC000465963386 879631093 /nfs/dbraw/zinc/63/10/93/879631093.db2.gz AVAQKXAYMCWOKZ-HSZRJFAPSA-N 1 2 404.558 4.142 20 30 HIEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)o1 ZINC000467035476 880833696 /nfs/dbraw/zinc/83/36/96/880833696.db2.gz HPVLNRBDFONRHH-FQEVSTJZSA-N 1 2 415.921 4.472 20 30 HIEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)o1 ZINC000467035476 880833702 /nfs/dbraw/zinc/83/37/02/880833702.db2.gz HPVLNRBDFONRHH-FQEVSTJZSA-N 1 2 415.921 4.472 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469383648 883525186 /nfs/dbraw/zinc/52/51/86/883525186.db2.gz KVAKZVBPXJQOFA-WZONZLPQSA-N 1 2 400.482 4.465 20 30 HIEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000469448556 883648091 /nfs/dbraw/zinc/64/80/91/883648091.db2.gz QPDXDFMGDDGMMA-XMSQKQJNSA-N 1 2 416.529 4.000 20 30 HIEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)cc1 ZINC000469683480 883868471 /nfs/dbraw/zinc/86/84/71/883868471.db2.gz LNTFSLPFAJSRND-QFIPXVFZSA-N 1 2 400.438 4.431 20 30 HIEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)c2)cc1 ZINC000469697659 883877431 /nfs/dbraw/zinc/87/74/31/883877431.db2.gz LAACBFUBRHAFDC-QFIPXVFZSA-N 1 2 400.438 4.431 20 30 HIEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cn2c1 ZINC000503822071 912831392 /nfs/dbraw/zinc/83/13/92/912831392.db2.gz BCKWUFWHPXGJFJ-UHFFFAOYSA-N 1 2 402.523 4.064 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000503822803 912831744 /nfs/dbraw/zinc/83/17/44/912831744.db2.gz XMJNDSYWMGZULA-AREMUKBSSA-N 1 2 424.548 4.369 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470927071 885431284 /nfs/dbraw/zinc/43/12/84/885431284.db2.gz AUATZEYTDGWFPH-QAPCUYQASA-N 1 2 404.436 4.177 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470927071 885431297 /nfs/dbraw/zinc/43/12/97/885431297.db2.gz AUATZEYTDGWFPH-QAPCUYQASA-N 1 2 404.436 4.177 20 30 HIEDLO CC(C)n1ncc2cc(C[NH+]3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)cnc21 ZINC000471013932 885514645 /nfs/dbraw/zinc/51/46/45/885514645.db2.gz YOEQZFGTCYKUPO-NRFANRHFSA-N 1 2 408.937 4.048 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471971982 886803361 /nfs/dbraw/zinc/80/33/61/886803361.db2.gz YCADVMJAMQIXHX-UYAOXDASSA-N 1 2 402.420 4.241 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471971982 886803362 /nfs/dbraw/zinc/80/33/62/886803362.db2.gz YCADVMJAMQIXHX-UYAOXDASSA-N 1 2 402.420 4.241 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000471979872 886809050 /nfs/dbraw/zinc/80/90/50/886809050.db2.gz PRBUDUBCAYBPMN-QZTJIDSGSA-N 1 2 424.373 4.422 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000471979872 886809051 /nfs/dbraw/zinc/80/90/51/886809051.db2.gz PRBUDUBCAYBPMN-QZTJIDSGSA-N 1 2 424.373 4.422 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000472305330 887129580 /nfs/dbraw/zinc/12/95/80/887129580.db2.gz KBJVHSGDNXBRIZ-MJGOQNOKSA-N 1 2 406.383 4.072 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000472305330 887129587 /nfs/dbraw/zinc/12/95/87/887129587.db2.gz KBJVHSGDNXBRIZ-MJGOQNOKSA-N 1 2 406.383 4.072 20 30 HIEDLO CN(Cc1cccs1)C(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472429457 887276920 /nfs/dbraw/zinc/27/69/20/887276920.db2.gz VQNWHSWTCZXPKW-UHFFFAOYSA-N 1 2 407.514 4.420 20 30 HIEDLO CN(Cc1cccs1)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472429457 887276935 /nfs/dbraw/zinc/27/69/35/887276935.db2.gz VQNWHSWTCZXPKW-UHFFFAOYSA-N 1 2 407.514 4.420 20 30 HIEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nc(C(F)(F)F)cs1 ZINC000472482547 887348693 /nfs/dbraw/zinc/34/86/93/887348693.db2.gz FODUPYPNUXOMCQ-UHFFFAOYSA-N 1 2 414.478 4.044 20 30 HIEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nc(C(F)(F)F)cs1 ZINC000472482547 887348699 /nfs/dbraw/zinc/34/86/99/887348699.db2.gz FODUPYPNUXOMCQ-UHFFFAOYSA-N 1 2 414.478 4.044 20 30 HIEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nc(C(F)(F)F)cs1 ZINC000472509578 887377313 /nfs/dbraw/zinc/37/73/13/887377313.db2.gz YOCLWLHAZZLSEH-UHFFFAOYSA-N 1 2 402.829 4.148 20 30 HIEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nc(C(F)(F)F)cs1 ZINC000472509578 887377329 /nfs/dbraw/zinc/37/73/29/887377329.db2.gz YOCLWLHAZZLSEH-UHFFFAOYSA-N 1 2 402.829 4.148 20 30 HIEDLO COc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000473005842 887837971 /nfs/dbraw/zinc/83/79/71/887837971.db2.gz BBZGPORVRNFBMC-QHCPKHFHSA-N 1 2 420.557 4.181 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000473495639 888218344 /nfs/dbraw/zinc/21/83/44/888218344.db2.gz LKSGLRPRIHIAAE-UHFFFAOYSA-N 1 2 415.459 4.244 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000474215895 889055349 /nfs/dbraw/zinc/05/53/49/889055349.db2.gz NMEURMVZOPPWOK-UHFFFAOYSA-N 1 2 422.472 4.230 20 30 HIEDLO Cn1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(-c2cccs2)n1 ZINC000475349438 890274320 /nfs/dbraw/zinc/27/43/20/890274320.db2.gz GTBQXXAWQOFYEQ-LJQANCHMSA-N 1 2 411.962 4.184 20 30 HIEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1C#N ZINC000476680039 891630255 /nfs/dbraw/zinc/63/02/55/891630255.db2.gz DTPVGNBYXVLWJC-UHFFFAOYSA-N 1 2 410.543 4.398 20 30 HIEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1C#N ZINC000476680039 891630272 /nfs/dbraw/zinc/63/02/72/891630272.db2.gz DTPVGNBYXVLWJC-UHFFFAOYSA-N 1 2 410.543 4.398 20 30 HIEDLO C=C(C)[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000476869743 891832890 /nfs/dbraw/zinc/83/28/90/891832890.db2.gz RRMVYTBIABYPPJ-JOCHJYFZSA-N 1 2 410.468 4.369 20 30 HIEDLO CCCc1c(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cnn1-c1cccc(C#N)c1 ZINC000476934806 891877900 /nfs/dbraw/zinc/87/79/00/891877900.db2.gz WVHTZHACZJIRFM-QGZVFWFLSA-N 1 2 416.529 4.287 20 30 HIEDLO CCCc1c(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cnn1-c1cccc(C#N)c1 ZINC000476934806 891877903 /nfs/dbraw/zinc/87/79/03/891877903.db2.gz WVHTZHACZJIRFM-QGZVFWFLSA-N 1 2 416.529 4.287 20 30 HIEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000477066168 891999178 /nfs/dbraw/zinc/99/91/78/891999178.db2.gz NJAULTRFHXOIRA-JWRCQZCYSA-N 1 2 407.539 4.168 20 30 HIEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000477066168 891999205 /nfs/dbraw/zinc/99/92/05/891999205.db2.gz NJAULTRFHXOIRA-JWRCQZCYSA-N 1 2 407.539 4.168 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000477075745 892010230 /nfs/dbraw/zinc/01/02/30/892010230.db2.gz MAYSNPCZNKIPIV-JWIGPWBQSA-N 1 2 402.585 4.334 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000477075745 892010242 /nfs/dbraw/zinc/01/02/42/892010242.db2.gz MAYSNPCZNKIPIV-JWIGPWBQSA-N 1 2 402.585 4.334 20 30 HIEDLO C=C(C)[C@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccc(F)c(F)c1 ZINC000477754917 892845886 /nfs/dbraw/zinc/84/58/86/892845886.db2.gz MQSHNNZFKKSFEY-IERDGZPVSA-N 1 2 400.473 4.065 20 30 HIEDLO Cc1ccc2c(ncc(C#N)c2N(C)Cc2cn3c([nH+]2)CCCC3)c1Br ZINC000479328342 894621314 /nfs/dbraw/zinc/62/13/14/894621314.db2.gz YHUDPNNPIWOLIF-UHFFFAOYSA-N 1 2 410.319 4.347 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(-c4c(F)cccc4F)cs3)CC2)cc1 ZINC000480511008 895878420 /nfs/dbraw/zinc/87/84/20/895878420.db2.gz SDYZLNQCXODHJU-UHFFFAOYSA-N 1 2 410.493 4.278 20 30 HIEDLO N#CCc1ccc(Oc2ccc(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)cc2)cc1 ZINC000505475454 914151874 /nfs/dbraw/zinc/15/18/74/914151874.db2.gz BVWHPIYTVLCVKD-DEOSSOPVSA-N 1 2 415.468 4.471 20 30 HIEDLO C[C@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000482606638 898207520 /nfs/dbraw/zinc/20/75/20/898207520.db2.gz OHVCBIMFZUQCQG-GOSISDBHSA-N 1 2 423.944 4.223 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1Cl ZINC000505571821 914279033 /nfs/dbraw/zinc/27/90/33/914279033.db2.gz DNJZEWDHFNDDGY-FQEVSTJZSA-N 1 2 418.884 4.186 20 30 HIEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c(Br)c1 ZINC000483108011 898800802 /nfs/dbraw/zinc/80/08/02/898800802.db2.gz GXGLDSKNBLIRSI-HNNXBMFYSA-N 1 2 415.209 4.043 20 30 HIEDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cccc(OCc3cccc(C#N)c3)c2)cn1 ZINC000483417053 899047265 /nfs/dbraw/zinc/04/72/65/899047265.db2.gz YAMGGWKRTZLQAE-QHCPKHFHSA-N 1 2 404.539 4.161 20 30 HIEDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cccc(OCc3cccc(C#N)c3)c2)cn1 ZINC000483417053 899047279 /nfs/dbraw/zinc/04/72/79/899047279.db2.gz YAMGGWKRTZLQAE-QHCPKHFHSA-N 1 2 404.539 4.161 20 30 HIEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3c(C#N)cnc4ccc(C)cc43)CC2)cs1 ZINC000488128080 902626399 /nfs/dbraw/zinc/62/63/99/902626399.db2.gz PMGHXGNRTHHGKS-QGZVFWFLSA-N 1 2 421.570 4.291 20 30 HIEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3c(C#N)cnc4ccc(C)cc43)CC2)cs1 ZINC000488128080 902626411 /nfs/dbraw/zinc/62/64/11/902626411.db2.gz PMGHXGNRTHHGKS-QGZVFWFLSA-N 1 2 421.570 4.291 20 30 HIEDLO N#CCCN(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccc(Cl)c1 ZINC000490823474 904267462 /nfs/dbraw/zinc/26/74/62/904267462.db2.gz GESZANPNUSSGIK-UHFFFAOYSA-N 1 2 412.877 4.159 20 30 HIEDLO N#CCCN(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccc(Cl)c1 ZINC000490823474 904267474 /nfs/dbraw/zinc/26/74/74/904267474.db2.gz GESZANPNUSSGIK-UHFFFAOYSA-N 1 2 412.877 4.159 20 30 HIEDLO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491247722 904500956 /nfs/dbraw/zinc/50/09/56/904500956.db2.gz FMZWCVWRYYDXFV-UHFFFAOYSA-N 1 2 417.412 4.284 20 30 HIEDLO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491247722 904500964 /nfs/dbraw/zinc/50/09/64/904500964.db2.gz FMZWCVWRYYDXFV-UHFFFAOYSA-N 1 2 417.412 4.284 20 30 HIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000491357465 904554970 /nfs/dbraw/zinc/55/49/70/904554970.db2.gz ZRBLUXSZJYKEBL-UHFFFAOYSA-N 1 2 411.285 4.042 20 30 HIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000491357465 904554979 /nfs/dbraw/zinc/55/49/79/904554979.db2.gz ZRBLUXSZJYKEBL-UHFFFAOYSA-N 1 2 411.285 4.042 20 30 HIEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000492646967 904881318 /nfs/dbraw/zinc/88/13/18/904881318.db2.gz CKGNOLSCJFBPOH-LJQANCHMSA-N 1 2 412.331 4.105 20 30 HIEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000492646967 904881320 /nfs/dbraw/zinc/88/13/20/904881320.db2.gz CKGNOLSCJFBPOH-LJQANCHMSA-N 1 2 412.331 4.105 20 30 HIEDLO C[N@H+](Cc1cc(C#N)ccc1Br)[C@H](CO)c1cccc(Br)c1 ZINC000492739675 904896519 /nfs/dbraw/zinc/89/65/19/904896519.db2.gz AZXTWWQTHWLKTH-QGZVFWFLSA-N 1 2 424.136 4.249 20 30 HIEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@H](CO)c1cccc(Br)c1 ZINC000492739675 904896523 /nfs/dbraw/zinc/89/65/23/904896523.db2.gz AZXTWWQTHWLKTH-QGZVFWFLSA-N 1 2 424.136 4.249 20 30 HIEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000494236753 905563830 /nfs/dbraw/zinc/56/38/30/905563830.db2.gz GBDSLBYSWBVKGA-UHFFFAOYSA-N 1 2 403.486 4.082 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000512506527 921205119 /nfs/dbraw/zinc/20/51/19/921205119.db2.gz MZOIWCPJVPHTDR-INIZCTEOSA-N 1 2 406.477 4.471 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000512506527 921205127 /nfs/dbraw/zinc/20/51/27/921205127.db2.gz MZOIWCPJVPHTDR-INIZCTEOSA-N 1 2 406.477 4.471 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000512511464 921208004 /nfs/dbraw/zinc/20/80/04/921208004.db2.gz HRCRPADEDXXXCO-IBGZPJMESA-N 1 2 411.550 4.196 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000512511464 921208011 /nfs/dbraw/zinc/20/80/11/921208011.db2.gz HRCRPADEDXXXCO-IBGZPJMESA-N 1 2 411.550 4.196 20 30 HIEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(Sc3ccc(C#N)cc3)c2c1C ZINC000497647725 907136338 /nfs/dbraw/zinc/13/63/38/907136338.db2.gz NGYBYRWHKUYZEV-UHFFFAOYSA-N 1 2 412.540 4.261 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c(F)c1 ZINC000512812590 921317475 /nfs/dbraw/zinc/31/74/75/921317475.db2.gz WGVQZAFNVLRZAU-UHFFFAOYSA-N 1 2 412.852 4.444 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cccc(C#N)c1C ZINC000513062539 921518708 /nfs/dbraw/zinc/51/87/08/921518708.db2.gz SWPRBRFYVYOGIX-UHFFFAOYSA-N 1 2 402.498 4.195 20 30 HIEDLO C=CCc1cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc(OC)c1OC ZINC000500846116 910120647 /nfs/dbraw/zinc/12/06/47/910120647.db2.gz ZYNCMAMUMUZZOS-OAQYLSRUSA-N 1 2 421.497 4.056 20 30 HIEDLO C=CCc1cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc(OC)c1OC ZINC000500846116 910120656 /nfs/dbraw/zinc/12/06/56/910120656.db2.gz ZYNCMAMUMUZZOS-OAQYLSRUSA-N 1 2 421.497 4.056 20 30 HIEDLO COC(=O)C[C@@](C)([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(F)c1 ZINC000513174260 921601217 /nfs/dbraw/zinc/60/12/17/921601217.db2.gz QRBRMQHXLTVUSH-LJQANCHMSA-N 1 2 405.267 4.028 20 30 HIEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000513256023 921660538 /nfs/dbraw/zinc/66/05/38/921660538.db2.gz KGQZGWVTFJKSAL-VXGBXAGGSA-N 1 2 404.486 4.240 20 30 HIEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503054046 912018762 /nfs/dbraw/zinc/01/87/62/912018762.db2.gz XCVFXVNOBBGSCT-OAHLLOKOSA-N 1 2 415.444 4.104 20 30 HIEDLO CC[N@H+](CCC#N)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000506498982 915115160 /nfs/dbraw/zinc/11/51/60/915115160.db2.gz HYWCJDSSNMWBRI-UHFFFAOYSA-N 1 2 416.525 4.495 20 30 HIEDLO CC[N@@H+](CCC#N)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000506498982 915115174 /nfs/dbraw/zinc/11/51/74/915115174.db2.gz HYWCJDSSNMWBRI-UHFFFAOYSA-N 1 2 416.525 4.495 20 30 HIEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000506529584 915170237 /nfs/dbraw/zinc/17/02/37/915170237.db2.gz BJVWNJWVWOJKCS-WZONZLPQSA-N 1 2 412.493 4.243 20 30 HIEDLO N#Cc1c(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cn2ccccc12 ZINC000506600604 915251653 /nfs/dbraw/zinc/25/16/53/915251653.db2.gz LXTXMEQWYAOKDB-UHFFFAOYSA-N 1 2 407.905 4.204 20 30 HIEDLO N#Cc1c(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cn2ccccc12 ZINC000506600604 915251685 /nfs/dbraw/zinc/25/16/85/915251685.db2.gz LXTXMEQWYAOKDB-UHFFFAOYSA-N 1 2 407.905 4.204 20 30 HIEDLO N#CCCCOc1cccc(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC000506603565 915256058 /nfs/dbraw/zinc/25/60/58/915256058.db2.gz XTPMMBYWBMMBIB-UHFFFAOYSA-N 1 2 405.329 4.393 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000507298987 916063761 /nfs/dbraw/zinc/06/37/61/916063761.db2.gz KWRDVULOIDYSLD-UHFFFAOYSA-N 1 2 411.505 4.095 20 30 HIEDLO CCSc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000508562554 917339023 /nfs/dbraw/zinc/33/90/23/917339023.db2.gz FZUQPPSSAIRHQF-SFHVURJKSA-N 1 2 408.571 4.259 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000509070511 917816500 /nfs/dbraw/zinc/81/65/00/917816500.db2.gz QSBQLHAUZAXZRY-UHFFFAOYSA-N 1 2 408.461 4.253 20 30 HIEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000509764053 918378833 /nfs/dbraw/zinc/37/88/33/918378833.db2.gz AEUPDXRHTCNVKK-IBGZPJMESA-N 1 2 416.525 4.351 20 30 HIEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000509764053 918378847 /nfs/dbraw/zinc/37/88/47/918378847.db2.gz AEUPDXRHTCNVKK-IBGZPJMESA-N 1 2 416.525 4.351 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000512169674 920907086 /nfs/dbraw/zinc/90/70/86/920907086.db2.gz PIPLDJRZANJFMU-FQEVSTJZSA-N 1 2 409.530 4.102 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000512169674 920907106 /nfs/dbraw/zinc/90/71/06/920907106.db2.gz PIPLDJRZANJFMU-FQEVSTJZSA-N 1 2 409.530 4.102 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000512226948 920978672 /nfs/dbraw/zinc/97/86/72/920978672.db2.gz KRGOSBYNUGJZBK-OAHLLOKOSA-N 1 2 406.910 4.148 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000512226948 920978691 /nfs/dbraw/zinc/97/86/91/920978691.db2.gz KRGOSBYNUGJZBK-OAHLLOKOSA-N 1 2 406.910 4.148 20 30 HIEDLO N#Cc1ccc(OCc2ccc(C(=O)N3CC[NH2+][C@H](c4cccc(Cl)c4)C3)o2)cc1 ZINC000513993252 922315038 /nfs/dbraw/zinc/31/50/38/922315038.db2.gz ZHZYSEZYSBUTEV-NRFANRHFSA-N 1 2 421.884 4.170 20 30 HIEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc(-c4ccc(Cl)cc4)n3)C2=O)cc1 ZINC000515229330 923005647 /nfs/dbraw/zinc/00/56/47/923005647.db2.gz CZLLUDQSOLZVDL-HXUWFJFHSA-N 1 2 422.941 4.226 20 30 HIEDLO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1Br ZINC000519046679 927721590 /nfs/dbraw/zinc/72/15/90/927721590.db2.gz NGXMIVOAZIEFJG-INIZCTEOSA-N 1 2 414.347 4.410 20 30 HIEDLO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1Br ZINC000519046679 927721603 /nfs/dbraw/zinc/72/16/03/927721603.db2.gz NGXMIVOAZIEFJG-INIZCTEOSA-N 1 2 414.347 4.410 20 30 HIEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000521168938 929040309 /nfs/dbraw/zinc/04/03/09/929040309.db2.gz CMXLTHXJYOPJIH-UHFFFAOYSA-N 1 2 405.546 4.311 20 30 HIEDLO CC(C)C[N@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000521822374 929479366 /nfs/dbraw/zinc/47/93/66/929479366.db2.gz LPIGQXPHZAZOBE-UHFFFAOYSA-N 1 2 414.435 4.211 20 30 HIEDLO CC(C)C[N@@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000521822374 929479375 /nfs/dbraw/zinc/47/93/75/929479375.db2.gz LPIGQXPHZAZOBE-UHFFFAOYSA-N 1 2 414.435 4.211 20 30 HIEDLO N#Cc1c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)sc2c1CCCCCC2 ZINC000524969042 929932604 /nfs/dbraw/zinc/93/26/04/929932604.db2.gz IZKSVKSHQBZCDZ-HXUWFJFHSA-N 1 2 409.555 4.118 20 30 HIEDLO N#Cc1c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)sc2c1CCCCCC2 ZINC000524969042 929932613 /nfs/dbraw/zinc/93/26/13/929932613.db2.gz IZKSVKSHQBZCDZ-HXUWFJFHSA-N 1 2 409.555 4.118 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000525635430 930376142 /nfs/dbraw/zinc/37/61/42/930376142.db2.gz ZBOMVNHZOQFHBX-QHCPKHFHSA-N 1 2 408.542 4.446 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000525635430 930376149 /nfs/dbraw/zinc/37/61/49/930376149.db2.gz ZBOMVNHZOQFHBX-QHCPKHFHSA-N 1 2 408.542 4.446 20 30 HIEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000527481871 930665848 /nfs/dbraw/zinc/66/58/48/930665848.db2.gz AGVZWFPSMHWXKL-MRXNPFEDSA-N 1 2 407.905 4.140 20 30 HIEDLO C=CCn1c(C)cc(C(=O)C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1C ZINC000531494135 931077190 /nfs/dbraw/zinc/07/71/90/931077190.db2.gz ZNJYVWYJYNALEV-UHFFFAOYSA-N 1 2 405.542 4.030 20 30 HIEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1C ZINC000531494135 931077200 /nfs/dbraw/zinc/07/72/00/931077200.db2.gz ZNJYVWYJYNALEV-UHFFFAOYSA-N 1 2 405.542 4.030 20 30 HIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000533029174 931745576 /nfs/dbraw/zinc/74/55/76/931745576.db2.gz SXIXBRSXSJPJBL-QFIPXVFZSA-N 1 2 418.884 4.120 20 30 HIEDLO COC(=O)c1cccc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1C#N ZINC000534472068 932499208 /nfs/dbraw/zinc/49/92/08/932499208.db2.gz JCEWQVWACRCPEC-UHFFFAOYSA-N 1 2 403.457 4.124 20 30 HIEDLO COC(=O)c1cccc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1C#N ZINC000534472068 932499216 /nfs/dbraw/zinc/49/92/16/932499216.db2.gz JCEWQVWACRCPEC-UHFFFAOYSA-N 1 2 403.457 4.124 20 30 HIEDLO Cc1ccc2nc([C@@H]3CCC[N@H+](CC(=O)Nc4ccc(C#N)c(Cl)c4)C3)[nH]c2c1 ZINC000534951647 932854851 /nfs/dbraw/zinc/85/48/51/932854851.db2.gz XFHKOXXNNIWSCD-MRXNPFEDSA-N 1 2 407.905 4.215 20 30 HIEDLO Cc1ccc2nc([C@@H]3CCC[N@@H+](CC(=O)Nc4ccc(C#N)c(Cl)c4)C3)[nH]c2c1 ZINC000534951647 932854854 /nfs/dbraw/zinc/85/48/54/932854854.db2.gz XFHKOXXNNIWSCD-MRXNPFEDSA-N 1 2 407.905 4.215 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129045 932947207 /nfs/dbraw/zinc/94/72/07/932947207.db2.gz HPVAXVNNVKJHNM-AZUAARDMSA-N 1 2 403.910 4.004 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129045 932947229 /nfs/dbraw/zinc/94/72/29/932947229.db2.gz HPVAXVNNVKJHNM-AZUAARDMSA-N 1 2 403.910 4.004 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535129050 932947927 /nfs/dbraw/zinc/94/79/27/932947927.db2.gz HPVAXVNNVKJHNM-QUCCMNQESA-N 1 2 403.910 4.004 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535129050 932947943 /nfs/dbraw/zinc/94/79/43/932947943.db2.gz HPVAXVNNVKJHNM-QUCCMNQESA-N 1 2 403.910 4.004 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C3)cs1 ZINC000537895796 938403438 /nfs/dbraw/zinc/40/34/38/938403438.db2.gz BLNVRAOFLFKHJK-CYBMUJFWSA-N 1 2 408.552 4.437 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C3)cs1 ZINC000537895796 938403442 /nfs/dbraw/zinc/40/34/42/938403442.db2.gz BLNVRAOFLFKHJK-CYBMUJFWSA-N 1 2 408.552 4.437 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)cc1 ZINC000538280029 938582363 /nfs/dbraw/zinc/58/23/63/938582363.db2.gz RWPDOLAIMJOUGK-HNNXBMFYSA-N 1 2 403.885 4.475 20 30 HIEDLO COC(=O)c1cccc(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)c1C#N ZINC000539268170 938830390 /nfs/dbraw/zinc/83/03/90/938830390.db2.gz PVGWYERKDIYKEK-JOCHJYFZSA-N 1 2 404.441 4.394 20 30 HIEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000539700507 938906084 /nfs/dbraw/zinc/90/60/84/938906084.db2.gz DFRJCHFUIZGIKS-AZUAARDMSA-N 1 2 400.885 4.008 20 30 HIEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000539700507 938906088 /nfs/dbraw/zinc/90/60/88/938906088.db2.gz DFRJCHFUIZGIKS-AZUAARDMSA-N 1 2 400.885 4.008 20 30 HIEDLO C=CCOc1ccccc1C[NH+]1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000539822797 938946413 /nfs/dbraw/zinc/94/64/13/938946413.db2.gz MTQZAJNDUIIRRT-SFHVURJKSA-N 1 2 401.576 4.123 20 30 HIEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000540237964 939159165 /nfs/dbraw/zinc/15/91/65/939159165.db2.gz WCZKNYOZGFDXQV-FQEVSTJZSA-N 1 2 408.550 4.207 20 30 HIEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000540237964 939159168 /nfs/dbraw/zinc/15/91/68/939159168.db2.gz WCZKNYOZGFDXQV-FQEVSTJZSA-N 1 2 408.550 4.207 20 30 HIEDLO N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000540634055 939324843 /nfs/dbraw/zinc/32/48/43/939324843.db2.gz MCTYCRHZUUANNV-OAQYLSRUSA-N 1 2 415.497 4.225 20 30 HIEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl)C1CC1 ZINC000541293829 939489701 /nfs/dbraw/zinc/48/97/01/939489701.db2.gz AXVYSZDBWCTERR-RTWAWAEBSA-N 1 2 402.325 4.481 20 30 HIEDLO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1nccs1 ZINC000541596236 939562972 /nfs/dbraw/zinc/56/29/72/939562972.db2.gz NNAKCWPMQDEKEU-IBGZPJMESA-N 1 2 423.542 4.110 20 30 HIEDLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2)cc1F ZINC000541688740 939603497 /nfs/dbraw/zinc/60/34/97/939603497.db2.gz COYCJZVHHPAZQD-IRXDYDNUSA-N 1 2 421.476 4.170 20 30 HIEDLO C=CCn1c(=O)c2c3c(sc2nc1SCCCn1cc[nH+]c1)CCCCC3 ZINC000541784885 939629225 /nfs/dbraw/zinc/62/92/25/939629225.db2.gz ZLFNSLCVOORXGD-UHFFFAOYSA-N 1 2 400.573 4.292 20 30 HIEDLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n[nH]1 ZINC000542051783 939699561 /nfs/dbraw/zinc/69/95/61/939699561.db2.gz BXYHBPCVRAFHOO-OAHLLOKOSA-N 1 2 411.575 4.127 20 30 HIEDLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)[nH]n1 ZINC000542051783 939699562 /nfs/dbraw/zinc/69/95/62/939699562.db2.gz BXYHBPCVRAFHOO-OAHLLOKOSA-N 1 2 411.575 4.127 20 30 HIEDLO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)c1nccs1 ZINC000544414586 940417297 /nfs/dbraw/zinc/41/72/97/940417297.db2.gz ATGZCYXDFOKGJP-LJQANCHMSA-N 1 2 419.554 4.364 20 30 HIEDLO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000544459504 940440056 /nfs/dbraw/zinc/44/00/56/940440056.db2.gz ULKABCSLKYLXFI-NSHDSACASA-N 1 2 402.829 4.366 20 30 HIEDLO N#Cc1cccc(N2CC[NH+]([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)CC2)n1 ZINC000544881469 940521287 /nfs/dbraw/zinc/52/12/87/940521287.db2.gz KBPNINMQKAQRFU-VWLOTQADSA-N 1 2 421.504 4.181 20 30 HIEDLO N#CCc1cc[nH+]c(NCc2cc(Br)ccc2OCc2ccccn2)c1 ZINC000546633243 940863194 /nfs/dbraw/zinc/86/31/94/940863194.db2.gz IHPTYPQBODUMPK-UHFFFAOYSA-N 1 2 409.287 4.496 20 30 HIEDLO COC(=O)c1sc2cccc(F)c2c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865885 941127125 /nfs/dbraw/zinc/12/71/25/941127125.db2.gz DPOPTYJFUCGHLV-UHFFFAOYSA-N 1 2 409.486 4.279 20 30 HIEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000549296376 941177958 /nfs/dbraw/zinc/17/79/58/941177958.db2.gz CYNHYJUBOKSNJX-HXUWFJFHSA-N 1 2 401.505 4.283 20 30 HIEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000549684643 941204428 /nfs/dbraw/zinc/20/44/28/941204428.db2.gz HRBQZUNQUAOPBY-UHFFFAOYSA-N 1 2 420.513 4.087 20 30 HIEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000549705268 941205166 /nfs/dbraw/zinc/20/51/66/941205166.db2.gz GTBNIFPFZPEOHU-UHFFFAOYSA-N 1 2 423.511 4.352 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000552122688 941589361 /nfs/dbraw/zinc/58/93/61/941589361.db2.gz ISTLHOSMZJFOOI-VQTJNVASSA-N 1 2 415.871 4.083 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000552122688 941589363 /nfs/dbraw/zinc/58/93/63/941589363.db2.gz ISTLHOSMZJFOOI-VQTJNVASSA-N 1 2 415.871 4.083 20 30 HIEDLO N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)c2)c1 ZINC000553277458 941859759 /nfs/dbraw/zinc/85/97/59/941859759.db2.gz MAWZVPHYTAINET-UHFFFAOYSA-N 1 2 409.449 4.029 20 30 HIEDLO C[C@@H]1C[NH+](Cc2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)C[C@@H](C)O1 ZINC000554310503 942098295 /nfs/dbraw/zinc/09/82/95/942098295.db2.gz OSJZAQJABYAUOD-CLCXKQKWSA-N 1 2 417.431 4.200 20 30 HIEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1ccc(OC)cc1 ZINC000555877135 942762977 /nfs/dbraw/zinc/76/29/77/942762977.db2.gz SIXQUFKGMLJIRL-INIZCTEOSA-N 1 2 417.347 4.323 20 30 HIEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1ccc(OC)cc1 ZINC000555877135 942762987 /nfs/dbraw/zinc/76/29/87/942762987.db2.gz SIXQUFKGMLJIRL-INIZCTEOSA-N 1 2 417.347 4.323 20 30 HIEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556711014 942929712 /nfs/dbraw/zinc/92/97/12/942929712.db2.gz CFEFJHKAFVUQLF-UYAOXDASSA-N 1 2 400.885 4.008 20 30 HIEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556711014 942929720 /nfs/dbraw/zinc/92/97/20/942929720.db2.gz CFEFJHKAFVUQLF-UYAOXDASSA-N 1 2 400.885 4.008 20 30 HIEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC000557704896 943264202 /nfs/dbraw/zinc/26/42/02/943264202.db2.gz KWXDGUHXOGEFTG-UHFFFAOYSA-N 1 2 400.360 4.284 20 30 HIEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1cccc2ccccc21 ZINC000558628933 943621062 /nfs/dbraw/zinc/62/10/62/943621062.db2.gz IMQHRAYZUNZPQN-WOJBJXKFSA-N 1 2 412.537 4.358 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000561173097 944497350 /nfs/dbraw/zinc/49/73/50/944497350.db2.gz VDPKGMJOOZUSKW-DYESRHJHSA-N 1 2 409.555 4.123 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000561173097 944497356 /nfs/dbraw/zinc/49/73/56/944497356.db2.gz VDPKGMJOOZUSKW-DYESRHJHSA-N 1 2 409.555 4.123 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000567440059 946341870 /nfs/dbraw/zinc/34/18/70/946341870.db2.gz ZYCDSSLIPLVVPP-XMMPIXPASA-N 1 2 416.502 4.457 20 30 HIEDLO CCOc1ccccc1NC(=O)[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000572927585 948043808 /nfs/dbraw/zinc/04/38/08/948043808.db2.gz SXXSGQXPCNBDLL-XMMPIXPASA-N 1 2 415.493 4.435 20 30 HIEDLO N#CC1(c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2)CCC1 ZINC001164673126 719507538 /nfs/dbraw/zinc/50/75/38/719507538.db2.gz OCBXMBATAOGHMD-UHFFFAOYSA-N 1 2 420.532 4.037 20 30 HIEDLO N#CC1(c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2)CCC1 ZINC001164673126 719507544 /nfs/dbraw/zinc/50/75/44/719507544.db2.gz OCBXMBATAOGHMD-UHFFFAOYSA-N 1 2 420.532 4.037 20 30 HIEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000436158261 861459947 /nfs/dbraw/zinc/45/99/47/861459947.db2.gz TTXVLXRYELUOEB-WOJBJXKFSA-N 1 2 409.559 4.433 20 30 HIEDLO Cc1ccc(CCC2CC[NH+](Cc3nc4ccccc4c(=O)n3CC#N)CC2)cc1 ZINC000014317080 845936502 /nfs/dbraw/zinc/93/65/02/845936502.db2.gz IPRBUFFHKNGPBP-UHFFFAOYSA-N 1 2 400.526 4.073 20 30 HIEDLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000015037450 846002724 /nfs/dbraw/zinc/00/27/24/846002724.db2.gz SAEFFXZMFUTIKL-IBGZPJMESA-N 1 2 414.575 4.023 20 30 HIEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000015037450 846002727 /nfs/dbraw/zinc/00/27/27/846002727.db2.gz SAEFFXZMFUTIKL-IBGZPJMESA-N 1 2 414.575 4.023 20 30 HIEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000025059275 846915199 /nfs/dbraw/zinc/91/51/99/846915199.db2.gz XPQOPMDBXNYIHX-HXUWFJFHSA-N 1 2 403.526 4.225 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000027356757 847289294 /nfs/dbraw/zinc/28/92/94/847289294.db2.gz KCWXIHRKRRYFPY-VWLOTQADSA-N 1 2 410.521 4.056 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000029119526 847510577 /nfs/dbraw/zinc/51/05/77/847510577.db2.gz YMZOQJPSGWERMR-UHFFFAOYSA-N 1 2 417.538 4.088 20 30 HIEDLO N#Cc1ccccc1COc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000032165430 847990322 /nfs/dbraw/zinc/99/03/22/847990322.db2.gz MYVYRGNHDLKFSV-UHFFFAOYSA-N 1 2 422.488 4.312 20 30 HIEDLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000046527212 848867044 /nfs/dbraw/zinc/86/70/44/848867044.db2.gz OXGBUBKJBMTTCO-IBGZPJMESA-N 1 2 404.495 4.022 20 30 HIEDLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000046527212 848867048 /nfs/dbraw/zinc/86/70/48/848867048.db2.gz OXGBUBKJBMTTCO-IBGZPJMESA-N 1 2 404.495 4.022 20 30 HIEDLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000052801355 849628997 /nfs/dbraw/zinc/62/89/97/849628997.db2.gz NRKUURRSIWCOCO-SFHVURJKSA-N 1 2 410.949 4.368 20 30 HIEDLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000052801355 849629003 /nfs/dbraw/zinc/62/90/03/849629003.db2.gz NRKUURRSIWCOCO-SFHVURJKSA-N 1 2 410.949 4.368 20 30 HIEDLO COc1cc(-c2nc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)cs2)ccc1O ZINC000436937402 862115194 /nfs/dbraw/zinc/11/51/94/862115194.db2.gz XWFREZPAGKZNAM-UHFFFAOYSA-N 1 2 421.522 4.439 20 30 HIEDLO COCC[N@H+](Cc1csc(-c2ccc(O)c(OC)c2)n1)Cc1ccc(C#N)cc1 ZINC000436938286 862117359 /nfs/dbraw/zinc/11/73/59/862117359.db2.gz TZAQAACUCVYEBR-UHFFFAOYSA-N 1 2 409.511 4.045 20 30 HIEDLO COCC[N@@H+](Cc1csc(-c2ccc(O)c(OC)c2)n1)Cc1ccc(C#N)cc1 ZINC000436938286 862117371 /nfs/dbraw/zinc/11/73/71/862117371.db2.gz TZAQAACUCVYEBR-UHFFFAOYSA-N 1 2 409.511 4.045 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(-c4nccs4)c3)CC2)cc1 ZINC000056776511 850478817 /nfs/dbraw/zinc/47/88/17/850478817.db2.gz QQKIFTGWUMMHKQ-UHFFFAOYSA-N 1 2 403.511 4.031 20 30 HIEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000063392034 851675566 /nfs/dbraw/zinc/67/55/66/851675566.db2.gz DCGWEZORMDFLPT-BGYRXZFFSA-N 1 2 418.541 4.388 20 30 HIEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000063392034 851675571 /nfs/dbraw/zinc/67/55/71/851675571.db2.gz DCGWEZORMDFLPT-BGYRXZFFSA-N 1 2 418.541 4.388 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000063549572 851712827 /nfs/dbraw/zinc/71/28/27/851712827.db2.gz QUWRHQPPTGLNML-UHFFFAOYSA-N 1 2 416.525 4.385 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000063549572 851712838 /nfs/dbraw/zinc/71/28/38/851712838.db2.gz QUWRHQPPTGLNML-UHFFFAOYSA-N 1 2 416.525 4.385 20 30 HIEDLO COCC[N@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063754193 851756067 /nfs/dbraw/zinc/75/60/67/851756067.db2.gz KMGBSSHGWDFMJA-LJQANCHMSA-N 1 2 401.510 4.037 20 30 HIEDLO COCC[N@@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063754193 851756077 /nfs/dbraw/zinc/75/60/77/851756077.db2.gz KMGBSSHGWDFMJA-LJQANCHMSA-N 1 2 401.510 4.037 20 30 HIEDLO Cc1cccc(C)c1NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000064430555 851896316 /nfs/dbraw/zinc/89/63/16/851896316.db2.gz LKCHPDQJWMTREA-UHFFFAOYSA-N 1 2 403.482 4.158 20 30 HIEDLO N#CCc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)cc1 ZINC000098080748 852656315 /nfs/dbraw/zinc/65/63/15/852656315.db2.gz PIJCWELPAJXZJW-OAQYLSRUSA-N 1 2 412.493 4.154 20 30 HIEDLO C=CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000108635623 852867440 /nfs/dbraw/zinc/86/74/40/852867440.db2.gz KBLYMRFKWKEGNX-ROUUACIJSA-N 1 2 410.514 4.122 20 30 HIEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3nc(-c4ccccc4)oc3C)c2)n1 ZINC000110177176 853069284 /nfs/dbraw/zinc/06/92/84/853069284.db2.gz BKOSIQGZQPWTIU-UHFFFAOYSA-N 1 2 415.497 4.349 20 30 HIEDLO COc1ccc([C@@H](CNc2ccc(C#N)cc2C(F)(F)F)[NH+]2CCOCC2)cc1 ZINC000112666143 853237359 /nfs/dbraw/zinc/23/73/59/853237359.db2.gz RFSYNVDIILKWIE-HXUWFJFHSA-N 1 2 405.420 4.071 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000248234768 854185769 /nfs/dbraw/zinc/18/57/69/854185769.db2.gz MCJHFZHELQGAOI-QHCPKHFHSA-N 1 2 414.571 4.137 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000248234768 854185771 /nfs/dbraw/zinc/18/57/71/854185771.db2.gz MCJHFZHELQGAOI-QHCPKHFHSA-N 1 2 414.571 4.137 20 30 HIEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301406880 854385636 /nfs/dbraw/zinc/38/56/36/854385636.db2.gz MGARANMEMJLUCT-AWEZNQCLSA-N 1 2 423.423 4.176 20 30 HIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302662214 854599763 /nfs/dbraw/zinc/59/97/63/854599763.db2.gz LZZFCAXQHXOKRX-UHFFFAOYSA-N 1 2 416.485 4.153 20 30 HIEDLO N#C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000303645137 855100436 /nfs/dbraw/zinc/10/04/36/855100436.db2.gz CGTNIPSGOUQCMO-XMMPIXPASA-N 1 2 408.461 4.446 20 30 HIEDLO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)cc1 ZINC000437394978 862731585 /nfs/dbraw/zinc/73/15/85/862731585.db2.gz JMVQOSLBBKLPFR-UHFFFAOYSA-N 1 2 400.425 4.263 20 30 HIEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000426070484 856086110 /nfs/dbraw/zinc/08/61/10/856086110.db2.gz CTVCWAQPGCYCBC-ICSRJNTNSA-N 1 2 423.423 4.406 20 30 HIEDLO C=CCOc1ccccc1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426364326 856260707 /nfs/dbraw/zinc/26/07/07/856260707.db2.gz YWLOTQWRISREQI-GMAHTHKFSA-N 1 2 402.498 4.176 20 30 HIEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCC(OC)CC3)sc2C1 ZINC000426401122 856275554 /nfs/dbraw/zinc/27/55/54/856275554.db2.gz NIWSXUBCBHURDI-HNNXBMFYSA-N 1 2 403.592 4.210 20 30 HIEDLO N#Cc1c(F)cccc1C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000428983706 857444370 /nfs/dbraw/zinc/44/43/70/857444370.db2.gz GVDXTKMTHLUGIL-MRXNPFEDSA-N 1 2 417.200 4.302 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2F)c1 ZINC000429060610 857485799 /nfs/dbraw/zinc/48/57/99/857485799.db2.gz BDOQGXIOUMIPRH-UHFFFAOYSA-N 1 2 419.460 4.411 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000429157966 857535355 /nfs/dbraw/zinc/53/53/55/857535355.db2.gz WPQQHMZQVGDQHW-IRXDYDNUSA-N 1 2 403.960 4.245 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000429157966 857535358 /nfs/dbraw/zinc/53/53/58/857535358.db2.gz WPQQHMZQVGDQHW-IRXDYDNUSA-N 1 2 403.960 4.245 20 30 HIEDLO CC[N@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000430033752 858005095 /nfs/dbraw/zinc/00/50/95/858005095.db2.gz RXOTUVFDJADMJH-HNNXBMFYSA-N 1 2 421.360 4.178 20 30 HIEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000430033752 858005105 /nfs/dbraw/zinc/00/51/05/858005105.db2.gz RXOTUVFDJADMJH-HNNXBMFYSA-N 1 2 421.360 4.178 20 30 HIEDLO N#Cc1c(F)ccc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)c1Cl ZINC000432409756 859150978 /nfs/dbraw/zinc/15/09/78/859150978.db2.gz IRKFSZTYULYWJP-UHFFFAOYSA-N 1 2 405.864 4.950 20 30 HIEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434664190 860451516 /nfs/dbraw/zinc/45/15/16/860451516.db2.gz JCPWEZCNPDVLEJ-AWEZNQCLSA-N 1 2 413.880 4.273 20 30 HIEDLO N#CCCCn1cc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c2ccccc21 ZINC000434975683 860583085 /nfs/dbraw/zinc/58/30/85/860583085.db2.gz FNBSBZNXSWDPSR-FLIBITNWSA-N 1 2 412.537 4.416 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C#N)cc1C ZINC000439081737 864531234 /nfs/dbraw/zinc/53/12/34/864531234.db2.gz YCPNYVBZCOUTCJ-UHFFFAOYSA-N 1 2 402.498 4.195 20 30 HIEDLO CCCc1c(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cnn1-c1cccc(C#N)c1 ZINC000440071643 865338690 /nfs/dbraw/zinc/33/86/90/865338690.db2.gz BWAAMBQUHFFFEW-UHFFFAOYSA-N 1 2 410.481 4.443 20 30 HIEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000441327818 866398915 /nfs/dbraw/zinc/39/89/15/866398915.db2.gz HDFZBGNCKXIJFX-INIZCTEOSA-N 1 2 407.905 4.140 20 30 HIEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000443115194 867825967 /nfs/dbraw/zinc/82/59/67/867825967.db2.gz MLKRQHUBRBTCLY-AZUAARDMSA-N 1 2 401.869 4.010 20 30 HIEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000443115194 867825974 /nfs/dbraw/zinc/82/59/74/867825974.db2.gz MLKRQHUBRBTCLY-AZUAARDMSA-N 1 2 401.869 4.010 20 30 HIEDLO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1nc(-c2cccnc2)no1 ZINC000444662403 868938810 /nfs/dbraw/zinc/93/88/10/868938810.db2.gz CBPIVQXGHBGVJO-UHFFFAOYSA-N 1 2 409.493 4.463 20 30 HIEDLO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1nc(-c2cccnc2)no1 ZINC000444662403 868938813 /nfs/dbraw/zinc/93/88/13/868938813.db2.gz CBPIVQXGHBGVJO-UHFFFAOYSA-N 1 2 409.493 4.463 20 30 HIEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)c(C#N)c1C ZINC000444784591 869002458 /nfs/dbraw/zinc/00/24/58/869002458.db2.gz OQAVLRMGFWPCTJ-HNNXBMFYSA-N 1 2 406.486 4.424 20 30 HIEDLO N#Cc1cc(F)c(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c(F)c1 ZINC000445637284 869707804 /nfs/dbraw/zinc/70/78/04/869707804.db2.gz SLIVPXYGKBOVCW-UHFFFAOYSA-N 1 2 410.449 4.104 20 30 HIEDLO N#Cc1cc(F)c(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c(F)c1 ZINC000445637284 869707809 /nfs/dbraw/zinc/70/78/09/869707809.db2.gz SLIVPXYGKBOVCW-UHFFFAOYSA-N 1 2 410.449 4.104 20 30 HIEDLO N#Cc1cc(F)c(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c(F)c1 ZINC000445817836 869839822 /nfs/dbraw/zinc/83/98/22/869839822.db2.gz HTLDROLRPUWBGC-FQEVSTJZSA-N 1 2 423.488 4.427 20 30 HIEDLO N#Cc1cc(F)c(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c(F)c1 ZINC000445817836 869839823 /nfs/dbraw/zinc/83/98/23/869839823.db2.gz HTLDROLRPUWBGC-FQEVSTJZSA-N 1 2 423.488 4.427 20 30 HIEDLO N#Cc1cc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1Oc1ccccc1 ZINC000446691103 870608367 /nfs/dbraw/zinc/60/83/67/870608367.db2.gz IVXRPUWEVXCWSH-UHFFFAOYSA-N 1 2 423.432 4.113 20 30 HIEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](c3cccc(Cl)c3)c3ccccn3)C2=O)cc1 ZINC000447890219 871803056 /nfs/dbraw/zinc/80/30/56/871803056.db2.gz VRNFEAPSHJEZAK-DHIUTWEWSA-N 1 2 416.912 4.481 20 30 HIEDLO C=C(C)Cn1c(-c2cccnc2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460768747 873615070 /nfs/dbraw/zinc/61/50/70/873615070.db2.gz MEGYOWFDRXZLKM-UHFFFAOYSA-N 1 2 417.561 4.054 20 30 HIEDLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000461362472 874364709 /nfs/dbraw/zinc/36/47/09/874364709.db2.gz KOEKPFMQGVORLA-VQTJNVASSA-N 1 2 422.598 4.478 20 30 HIEDLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000461362472 874364716 /nfs/dbraw/zinc/36/47/16/874364716.db2.gz KOEKPFMQGVORLA-VQTJNVASSA-N 1 2 422.598 4.478 20 30 HIEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000468791102 882861448 /nfs/dbraw/zinc/86/14/48/882861448.db2.gz BSQFZYQOMHERBJ-UHFFFAOYSA-N 1 2 401.532 4.201 20 30 HIEDLO CSc1cccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2cc(F)ccc2F)c1 ZINC000462176911 875276887 /nfs/dbraw/zinc/27/68/87/875276887.db2.gz NAUZUJVWXMUULE-FCHUYYIVSA-N 1 2 417.525 4.420 20 30 HIEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000464497152 877715784 /nfs/dbraw/zinc/71/57/84/877715784.db2.gz XVGXTUSNWBUERA-QZTJIDSGSA-N 1 2 417.575 4.073 20 30 HIEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000464497152 877715798 /nfs/dbraw/zinc/71/57/98/877715798.db2.gz XVGXTUSNWBUERA-QZTJIDSGSA-N 1 2 417.575 4.073 20 30 HIEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464567511 877786493 /nfs/dbraw/zinc/78/64/93/877786493.db2.gz FRSJAUOXBOQVAF-UHFFFAOYSA-N 1 2 418.722 4.361 20 30 HIEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464567511 877786500 /nfs/dbraw/zinc/78/65/00/877786500.db2.gz FRSJAUOXBOQVAF-UHFFFAOYSA-N 1 2 418.722 4.361 20 30 HIEDLO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 ZINC000464830918 878088939 /nfs/dbraw/zinc/08/89/39/878088939.db2.gz BOKQHXHGAZEULI-OXQOHEQNSA-N 1 2 403.486 4.057 20 30 HIEDLO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 ZINC000464830918 878088957 /nfs/dbraw/zinc/08/89/57/878088957.db2.gz BOKQHXHGAZEULI-OXQOHEQNSA-N 1 2 403.486 4.057 20 30 HIEDLO CCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000464860971 878142594 /nfs/dbraw/zinc/14/25/94/878142594.db2.gz RUVJWMOXPQWUFX-INIZCTEOSA-N 1 2 403.592 4.497 20 30 HIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000467186116 880911826 /nfs/dbraw/zinc/91/18/26/880911826.db2.gz KWJBCQQJDHEKBW-IBGZPJMESA-N 1 2 401.514 4.128 20 30 HIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000467186116 880911832 /nfs/dbraw/zinc/91/18/32/880911832.db2.gz KWJBCQQJDHEKBW-IBGZPJMESA-N 1 2 401.514 4.128 20 30 HIEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467352436 881110501 /nfs/dbraw/zinc/11/05/01/881110501.db2.gz GPTGIEPWPNGQFS-UHFFFAOYSA-N 1 2 409.349 4.164 20 30 HIEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467352436 881110517 /nfs/dbraw/zinc/11/05/17/881110517.db2.gz GPTGIEPWPNGQFS-UHFFFAOYSA-N 1 2 409.349 4.164 20 30 HIEDLO C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469380888 883516266 /nfs/dbraw/zinc/51/62/66/883516266.db2.gz HPQQMQSNTJUETD-MBSDFSHPSA-N 1 2 400.482 4.057 20 30 HIEDLO C[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000469384873 883529385 /nfs/dbraw/zinc/52/93/85/883529385.db2.gz XJTFKNYOKFQESS-FDDCHVKYSA-N 1 2 400.482 4.057 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000469511403 883769616 /nfs/dbraw/zinc/76/96/16/883769616.db2.gz ASQRFTPMXRWDGF-NRFANRHFSA-N 1 2 400.438 4.431 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025136 884244612 /nfs/dbraw/zinc/24/46/12/884244612.db2.gz SOSRJZGTTYMHRH-BBRMVZONSA-N 1 2 404.297 4.345 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025136 884244627 /nfs/dbraw/zinc/24/46/27/884244627.db2.gz SOSRJZGTTYMHRH-BBRMVZONSA-N 1 2 404.297 4.345 20 30 HIEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)c1cccc(Cl)c1 ZINC000470216169 884541814 /nfs/dbraw/zinc/54/18/14/884541814.db2.gz PFMCLABEYPBSQD-QGZVFWFLSA-N 1 2 415.946 4.386 20 30 HIEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)c1cccc(Cl)c1 ZINC000470216169 884541825 /nfs/dbraw/zinc/54/18/25/884541825.db2.gz PFMCLABEYPBSQD-QGZVFWFLSA-N 1 2 415.946 4.386 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470927072 885431726 /nfs/dbraw/zinc/43/17/26/885431726.db2.gz AUATZEYTDGWFPH-YJBOKZPZSA-N 1 2 404.436 4.177 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470927072 885431743 /nfs/dbraw/zinc/43/17/43/885431743.db2.gz AUATZEYTDGWFPH-YJBOKZPZSA-N 1 2 404.436 4.177 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473160365 887940254 /nfs/dbraw/zinc/94/02/54/887940254.db2.gz GCVOOVNGOGXQTM-SBUREZEXSA-N 1 2 407.539 4.151 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473160365 887940257 /nfs/dbraw/zinc/94/02/57/887940257.db2.gz GCVOOVNGOGXQTM-SBUREZEXSA-N 1 2 407.539 4.151 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473173380 887950514 /nfs/dbraw/zinc/95/05/14/887950514.db2.gz WEDBQOQVYPOMEK-GYCJOSAFSA-N 1 2 421.566 4.347 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473173380 887950519 /nfs/dbraw/zinc/95/05/19/887950519.db2.gz WEDBQOQVYPOMEK-GYCJOSAFSA-N 1 2 421.566 4.347 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)C2 ZINC000474950794 889806786 /nfs/dbraw/zinc/80/67/86/889806786.db2.gz BAYPRTQHOPVCJQ-INIZCTEOSA-N 1 2 405.527 4.196 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)CC2 ZINC000474950794 889806789 /nfs/dbraw/zinc/80/67/89/889806789.db2.gz BAYPRTQHOPVCJQ-INIZCTEOSA-N 1 2 405.527 4.196 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000475018533 889871334 /nfs/dbraw/zinc/87/13/34/889871334.db2.gz PHYLPSIZGGNPIM-UHFFFAOYSA-N 1 2 422.357 4.086 20 30 HIEDLO CN(c1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000475022595 889875689 /nfs/dbraw/zinc/87/56/89/889875689.db2.gz FKOLRPZGWRNKGJ-UHFFFAOYSA-N 1 2 417.557 4.287 20 30 HIEDLO C=C(C)[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccc(F)c(F)c1 ZINC000477754919 892845996 /nfs/dbraw/zinc/84/59/96/892845996.db2.gz MQSHNNZFKKSFEY-IIBYNOLFSA-N 1 2 400.473 4.065 20 30 HIEDLO N#CCCCn1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc21 ZINC000505150108 913845049 /nfs/dbraw/zinc/84/50/49/913845049.db2.gz BZKLDUZCAPUCDD-LJQANCHMSA-N 1 2 415.541 4.498 20 30 HIEDLO Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000505298766 913957952 /nfs/dbraw/zinc/95/79/52/913957952.db2.gz CZJMPZRMKPFVML-HXUWFJFHSA-N 1 2 417.538 4.215 20 30 HIEDLO Cc1ccc2c(ncc(C#N)c2N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1Br ZINC000480092148 895455936 /nfs/dbraw/zinc/45/59/36/895455936.db2.gz LLBYZYJNJHVCOP-DYVFJYSZSA-N 1 2 410.319 4.461 20 30 HIEDLO N#CCC[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccc1 ZINC000480184840 895578780 /nfs/dbraw/zinc/57/87/80/895578780.db2.gz TVQMCGDPTPQYBR-ZWKOTPCHSA-N 1 2 419.344 4.302 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1Cl ZINC000505566245 914270547 /nfs/dbraw/zinc/27/05/47/914270547.db2.gz OEVORINQGFCXCY-FQEVSTJZSA-N 1 2 418.884 4.186 20 30 HIEDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000483421615 899050396 /nfs/dbraw/zinc/05/03/96/899050396.db2.gz VBIMTEKZPDHJNQ-QHCPKHFHSA-N 1 2 404.539 4.161 20 30 HIEDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000483421615 899050412 /nfs/dbraw/zinc/05/04/12/899050412.db2.gz VBIMTEKZPDHJNQ-QHCPKHFHSA-N 1 2 404.539 4.161 20 30 HIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)cc1 ZINC000485298049 900576273 /nfs/dbraw/zinc/57/62/73/900576273.db2.gz AJJONWJXWXJDAS-HRAATJIYSA-N 1 2 415.497 4.017 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2CCC(C(F)F)CC2)c1C#N ZINC000486133330 901321059 /nfs/dbraw/zinc/32/10/59/901321059.db2.gz BQONHUKZHPOCIW-UHFFFAOYSA-N 1 2 404.436 4.021 20 30 HIEDLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C3)cc1 ZINC000488099550 902602128 /nfs/dbraw/zinc/60/21/28/902602128.db2.gz XMFOENGUXQBPLQ-UHFFFAOYSA-N 1 2 408.509 4.011 20 30 HIEDLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C3)cc1 ZINC000488099550 902602139 /nfs/dbraw/zinc/60/21/39/902602139.db2.gz XMFOENGUXQBPLQ-UHFFFAOYSA-N 1 2 408.509 4.011 20 30 HIEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cccc(Br)c2)c(Br)c1 ZINC000488231050 902708026 /nfs/dbraw/zinc/70/80/26/902708026.db2.gz LAODONGDFXBXMX-UHFFFAOYSA-N 1 2 424.136 4.078 20 30 HIEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cccc(Br)c2)c(Br)c1 ZINC000488231050 902708038 /nfs/dbraw/zinc/70/80/38/902708038.db2.gz LAODONGDFXBXMX-UHFFFAOYSA-N 1 2 424.136 4.078 20 30 HIEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000490042819 903737844 /nfs/dbraw/zinc/73/78/44/903737844.db2.gz JTTJTBWGXLMUIY-DTWKUNHWSA-N 1 2 402.829 4.365 20 30 HIEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490404918 903989315 /nfs/dbraw/zinc/98/93/15/903989315.db2.gz UJSQNYRPACGDSM-OAQYLSRUSA-N 1 2 424.451 4.134 20 30 HIEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490404918 903989327 /nfs/dbraw/zinc/98/93/27/903989327.db2.gz UJSQNYRPACGDSM-OAQYLSRUSA-N 1 2 424.451 4.134 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccccc21 ZINC000490831970 904273604 /nfs/dbraw/zinc/27/36/04/904273604.db2.gz ZQSVQXKAFIZKPQ-UHFFFAOYSA-N 1 2 402.454 4.310 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccccc21 ZINC000490831970 904273617 /nfs/dbraw/zinc/27/36/17/904273617.db2.gz ZQSVQXKAFIZKPQ-UHFFFAOYSA-N 1 2 402.454 4.310 20 30 HIEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](c4ccccc4)C3)sc2C1 ZINC000506105219 914805776 /nfs/dbraw/zinc/80/57/76/914805776.db2.gz IERQLSRDVRTRQS-JXFKEZNVSA-N 1 2 409.555 4.147 20 30 HIEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@H](c4ccccc4)C3)sc2C1 ZINC000506105219 914805777 /nfs/dbraw/zinc/80/57/77/914805777.db2.gz IERQLSRDVRTRQS-JXFKEZNVSA-N 1 2 409.555 4.147 20 30 HIEDLO COc1cc(Br)c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1O ZINC000491194563 904476055 /nfs/dbraw/zinc/47/60/55/904476055.db2.gz OAXBBWUXFZWOLC-UHFFFAOYSA-N 1 2 417.303 4.078 20 30 HIEDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(C#N)ccc1Br ZINC000492400066 904844223 /nfs/dbraw/zinc/84/42/23/904844223.db2.gz RAEKMWXANIZNAO-UHFFFAOYSA-N 1 2 400.320 4.045 20 30 HIEDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(C#N)ccc1Br ZINC000492400066 904844225 /nfs/dbraw/zinc/84/42/25/904844225.db2.gz RAEKMWXANIZNAO-UHFFFAOYSA-N 1 2 400.320 4.045 20 30 HIEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(Cl)c1OC ZINC000512443610 921164752 /nfs/dbraw/zinc/16/47/52/921164752.db2.gz FBBJPFVIFSEGDM-UHFFFAOYSA-N 1 2 422.916 4.099 20 30 HIEDLO CCc1ccc(-c2noc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)n2)cc1 ZINC000512811888 921317379 /nfs/dbraw/zinc/31/73/79/921317379.db2.gz MMYKONNELGYBTH-UHFFFAOYSA-N 1 2 406.461 4.353 20 30 HIEDLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512816376 921321817 /nfs/dbraw/zinc/32/18/17/921321817.db2.gz GRQAHICDHZFORJ-MRXNPFEDSA-N 1 2 406.461 4.276 20 30 HIEDLO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512826578 921330873 /nfs/dbraw/zinc/33/08/73/921330873.db2.gz FMPGHZFCOGFXNT-HNNXBMFYSA-N 1 2 413.518 4.290 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC2)c(F)c1 ZINC000512826921 921331332 /nfs/dbraw/zinc/33/13/32/921331332.db2.gz HFCUJIJDLWMZNH-UHFFFAOYSA-N 1 2 412.415 4.205 20 30 HIEDLO CCOc1ccc(-c2noc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)n2)cc1 ZINC000512842193 921343895 /nfs/dbraw/zinc/34/38/95/921343895.db2.gz YYIZDEFYBFZETM-UHFFFAOYSA-N 1 2 422.460 4.189 20 30 HIEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000499175163 908529197 /nfs/dbraw/zinc/52/91/97/908529197.db2.gz YQZPBJFJAPTJBX-OALUTQOASA-N 1 2 419.312 4.058 20 30 HIEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000499175163 908529211 /nfs/dbraw/zinc/52/92/11/908529211.db2.gz YQZPBJFJAPTJBX-OALUTQOASA-N 1 2 419.312 4.058 20 30 HIEDLO C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000499942999 909047604 /nfs/dbraw/zinc/04/76/04/909047604.db2.gz ZHLPUYSRLOGVER-NSHDSACASA-N 1 2 400.338 4.033 20 30 HIEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)C1 ZINC000500869102 910140360 /nfs/dbraw/zinc/14/03/60/910140360.db2.gz QFFQYKHAMDFTGO-FQEVSTJZSA-N 1 2 408.433 4.321 20 30 HIEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)C1 ZINC000500869102 910140368 /nfs/dbraw/zinc/14/03/68/910140368.db2.gz QFFQYKHAMDFTGO-FQEVSTJZSA-N 1 2 408.433 4.321 20 30 HIEDLO COc1cc(C[N@@H+]2CCOc3cc(O)ccc3C2)ccc1OCc1cccc(C#N)c1 ZINC000513168382 921596137 /nfs/dbraw/zinc/59/61/37/921596137.db2.gz SNBLEYZZNAYJJQ-UHFFFAOYSA-N 1 2 416.477 4.246 20 30 HIEDLO COc1cc(C[N@H+]2CCOc3cc(O)ccc3C2)ccc1OCc1cccc(C#N)c1 ZINC000513168382 921596145 /nfs/dbraw/zinc/59/61/45/921596145.db2.gz SNBLEYZZNAYJJQ-UHFFFAOYSA-N 1 2 416.477 4.246 20 30 HIEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502329005 911307030 /nfs/dbraw/zinc/30/70/30/911307030.db2.gz CWSCWWYZIGDIKC-GOSISDBHSA-N 1 2 403.461 4.052 20 30 HIEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502329005 911307047 /nfs/dbraw/zinc/30/70/47/911307047.db2.gz CWSCWWYZIGDIKC-GOSISDBHSA-N 1 2 403.461 4.052 20 30 HIEDLO CC(C)c1nc(C2CC[NH+](CC(=O)c3cn(CCC#N)c4ccccc34)CC2)no1 ZINC000506602720 915255142 /nfs/dbraw/zinc/25/51/42/915255142.db2.gz RHNIKRPSXQJROJ-UHFFFAOYSA-N 1 2 405.502 4.124 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1C#N ZINC000507254047 916015944 /nfs/dbraw/zinc/01/59/44/916015944.db2.gz FQCWAKNQNNLKCC-QHCPKHFHSA-N 1 2 420.557 4.276 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1C#N ZINC000507254047 916015964 /nfs/dbraw/zinc/01/59/64/916015964.db2.gz FQCWAKNQNNLKCC-QHCPKHFHSA-N 1 2 420.557 4.276 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc4sc5c(c4c(N)n3)CCCC5)CC2)cc1 ZINC000507788201 916572621 /nfs/dbraw/zinc/57/26/21/916572621.db2.gz YZQJCGRJGRRTNC-UHFFFAOYSA-N 1 2 419.554 4.067 20 30 HIEDLO Cn1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(-c2ccccc2Cl)n1 ZINC000509529056 918177351 /nfs/dbraw/zinc/17/73/51/918177351.db2.gz UNRGJDJTYCUTQT-UHFFFAOYSA-N 1 2 409.896 4.073 20 30 HIEDLO CC1CC[NH+](Cc2csc(NC(=O)CSCc3ccc(C#N)cc3)n2)CC1 ZINC000510031325 918604472 /nfs/dbraw/zinc/60/44/72/918604472.db2.gz ZPMZIQLAHFSTHF-UHFFFAOYSA-N 1 2 400.573 4.119 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000512198245 920943109 /nfs/dbraw/zinc/94/31/09/920943109.db2.gz VMPANVMIWBINKQ-AWEZNQCLSA-N 1 2 412.408 4.076 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000512198245 920943124 /nfs/dbraw/zinc/94/31/24/920943124.db2.gz VMPANVMIWBINKQ-AWEZNQCLSA-N 1 2 412.408 4.076 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000512209455 920954718 /nfs/dbraw/zinc/95/47/18/920954718.db2.gz BKBGMUMPHBMHJY-OAHLLOKOSA-N 1 2 421.335 4.248 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000512209455 920954721 /nfs/dbraw/zinc/95/47/21/920954721.db2.gz BKBGMUMPHBMHJY-OAHLLOKOSA-N 1 2 421.335 4.248 20 30 HIEDLO CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513582337 921913267 /nfs/dbraw/zinc/91/32/67/921913267.db2.gz LTNXUQHAJHZBTN-DLVCFXQMSA-N 1 2 410.315 4.246 20 30 HIEDLO CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513582337 921913278 /nfs/dbraw/zinc/91/32/78/921913278.db2.gz LTNXUQHAJHZBTN-DLVCFXQMSA-N 1 2 410.315 4.246 20 30 HIEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000513716537 922036647 /nfs/dbraw/zinc/03/66/47/922036647.db2.gz CWHGZKMTTRVNLP-CQSZACIVSA-N 1 2 419.884 4.239 20 30 HIEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000513716537 922036666 /nfs/dbraw/zinc/03/66/66/922036666.db2.gz CWHGZKMTTRVNLP-CQSZACIVSA-N 1 2 419.884 4.239 20 30 HIEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1OC ZINC000513746289 922067894 /nfs/dbraw/zinc/06/78/94/922067894.db2.gz SFROAYJJLHFOMI-OAQYLSRUSA-N 1 2 405.441 4.435 20 30 HIEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1OC ZINC000513746289 922067906 /nfs/dbraw/zinc/06/79/06/922067906.db2.gz SFROAYJJLHFOMI-OAQYLSRUSA-N 1 2 405.441 4.435 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(-c2ccccc2)n1 ZINC000513754768 922073903 /nfs/dbraw/zinc/07/39/03/922073903.db2.gz NHDQVIHYSXKZFB-JOCHJYFZSA-N 1 2 408.452 4.315 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(-c2ccccc2)n1 ZINC000513754768 922073911 /nfs/dbraw/zinc/07/39/11/922073911.db2.gz NHDQVIHYSXKZFB-JOCHJYFZSA-N 1 2 408.452 4.315 20 30 HIEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)sc2C1 ZINC000521647898 929342402 /nfs/dbraw/zinc/34/24/02/929342402.db2.gz FNSCZZKVGIGXTC-UHFFFAOYSA-N 1 2 408.458 4.186 20 30 HIEDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)sc2C1 ZINC000521647898 929342417 /nfs/dbraw/zinc/34/24/17/929342417.db2.gz FNSCZZKVGIGXTC-UHFFFAOYSA-N 1 2 408.458 4.186 20 30 HIEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc(OC)cc1OC ZINC000521819265 929476135 /nfs/dbraw/zinc/47/61/35/929476135.db2.gz XPAURVHTOBZEQO-UHFFFAOYSA-N 1 2 415.921 4.126 20 30 HIEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc(OC)cc1OC ZINC000521819265 929476142 /nfs/dbraw/zinc/47/61/42/929476142.db2.gz XPAURVHTOBZEQO-UHFFFAOYSA-N 1 2 415.921 4.126 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000530966061 930870426 /nfs/dbraw/zinc/87/04/26/930870426.db2.gz DNAWORXKQLQOHM-HUUCEWRRSA-N 1 2 403.885 4.474 20 30 HIEDLO COc1ccc(OC2CC[NH+](CC(=O)c3cn(CCC#N)c4ccccc34)CC2)cc1 ZINC000532474707 931452087 /nfs/dbraw/zinc/45/20/87/931452087.db2.gz SVFOHYGJTHXZNT-UHFFFAOYSA-N 1 2 417.509 4.290 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000532578533 931537095 /nfs/dbraw/zinc/53/70/95/931537095.db2.gz WAAPRGQZSAPEJX-QGZVFWFLSA-N 1 2 423.582 4.159 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)c1C#N ZINC000532649948 931568370 /nfs/dbraw/zinc/56/83/70/931568370.db2.gz WIVHZKNRDZQMGI-QFIPXVFZSA-N 1 2 417.488 4.276 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)c1C#N ZINC000532649948 931568373 /nfs/dbraw/zinc/56/83/73/931568373.db2.gz WIVHZKNRDZQMGI-QFIPXVFZSA-N 1 2 417.488 4.276 20 30 HIEDLO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)[C@H](c3ccco3)C2)cc1 ZINC000532751583 931622083 /nfs/dbraw/zinc/62/20/83/931622083.db2.gz JEZWMPJQQDGLLT-QHCPKHFHSA-N 1 2 412.493 4.269 20 30 HIEDLO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccc(C#N)cc3)[C@H](c3ccco3)C2)cc1 ZINC000532751583 931622093 /nfs/dbraw/zinc/62/20/93/931622093.db2.gz JEZWMPJQQDGLLT-QHCPKHFHSA-N 1 2 412.493 4.269 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000533285213 931828285 /nfs/dbraw/zinc/82/82/85/931828285.db2.gz XFAQZKHKYMHFAY-QFBILLFUSA-N 1 2 423.538 4.443 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000533285213 931828288 /nfs/dbraw/zinc/82/82/88/931828288.db2.gz XFAQZKHKYMHFAY-QFBILLFUSA-N 1 2 423.538 4.443 20 30 HIEDLO COc1ccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)cc1C#N ZINC000533468780 931877212 /nfs/dbraw/zinc/87/72/12/931877212.db2.gz BQCLDKGRAPCNFW-UHFFFAOYSA-N 1 2 419.554 4.426 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000535667606 933314186 /nfs/dbraw/zinc/31/41/86/933314186.db2.gz GUBLFSDUOWPLHX-IBGZPJMESA-N 1 2 401.514 4.051 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000535667606 933314203 /nfs/dbraw/zinc/31/42/03/933314203.db2.gz GUBLFSDUOWPLHX-IBGZPJMESA-N 1 2 401.514 4.051 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128401 938807671 /nfs/dbraw/zinc/80/76/71/938807671.db2.gz SLIOFAHAGPMGQU-IEBWSBKVSA-N 1 2 407.823 4.194 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128401 938807672 /nfs/dbraw/zinc/80/76/72/938807672.db2.gz SLIOFAHAGPMGQU-IEBWSBKVSA-N 1 2 407.823 4.194 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539133229 938808729 /nfs/dbraw/zinc/80/87/29/938808729.db2.gz QUKMTRYVDFIGRR-FPOVZHCZSA-N 1 2 417.937 4.395 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539133229 938808730 /nfs/dbraw/zinc/80/87/30/938808730.db2.gz QUKMTRYVDFIGRR-FPOVZHCZSA-N 1 2 417.937 4.395 20 30 HIEDLO N#CC1(c2ccc(C(=O)N[C@H]3CCC[N@@H+](Cc4ccc(F)cc4Cl)C3)cc2)CC1 ZINC000540773458 939367606 /nfs/dbraw/zinc/36/76/06/939367606.db2.gz FFPRXVZTFKOURD-FQEVSTJZSA-N 1 2 411.908 4.429 20 30 HIEDLO N#CC1(c2ccc(C(=O)N[C@H]3CCC[N@H+](Cc4ccc(F)cc4Cl)C3)cc2)CC1 ZINC000540773458 939367610 /nfs/dbraw/zinc/36/76/10/939367610.db2.gz FFPRXVZTFKOURD-FQEVSTJZSA-N 1 2 411.908 4.429 20 30 HIEDLO CSc1ccc([C@H](CNC(=O)NC[C@H](C)C#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000541016853 939431851 /nfs/dbraw/zinc/43/18/51/939431851.db2.gz MJEYOEFVYKNCKB-BEFAXECRSA-N 1 2 414.600 4.028 20 30 HIEDLO CSc1ccc([C@H](CNC(=O)NC[C@H](C)C#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000541016853 939431853 /nfs/dbraw/zinc/43/18/53/939431853.db2.gz MJEYOEFVYKNCKB-BEFAXECRSA-N 1 2 414.600 4.028 20 30 HIEDLO C[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942705 939882843 /nfs/dbraw/zinc/88/28/43/939882843.db2.gz SJDRHWMTYKLCJY-HNNXBMFYSA-N 1 2 411.552 4.077 20 30 HIEDLO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542975491 939889706 /nfs/dbraw/zinc/88/97/06/939889706.db2.gz JFWKCOCIFFGRGO-FDDCHVKYSA-N 1 2 411.509 4.259 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542986848 939891869 /nfs/dbraw/zinc/89/18/69/939891869.db2.gz SVDSKWATRBVXOG-HNNXBMFYSA-N 1 2 424.492 4.456 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542986848 939891870 /nfs/dbraw/zinc/89/18/70/939891870.db2.gz SVDSKWATRBVXOG-HNNXBMFYSA-N 1 2 424.492 4.456 20 30 HIEDLO C[NH+](C)[C@@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1cccc(Cl)c1 ZINC000543003311 939893971 /nfs/dbraw/zinc/89/39/71/939893971.db2.gz NPICELBBYGIAMC-LJQANCHMSA-N 1 2 414.296 4.292 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543022113 939896999 /nfs/dbraw/zinc/89/69/99/939896999.db2.gz WIFVPZWRVBGGKJ-CTNGQTDRSA-N 1 2 413.443 4.224 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543022113 939897000 /nfs/dbraw/zinc/89/70/00/939897000.db2.gz WIFVPZWRVBGGKJ-CTNGQTDRSA-N 1 2 413.443 4.224 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@H]2/C=C\c2cccs2)c1 ZINC000543062314 939915986 /nfs/dbraw/zinc/91/59/86/939915986.db2.gz CJMRFCRZXSAMAD-GDWUOILNSA-N 1 2 400.569 4.351 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCCC[C@H]2/C=C\c2cccs2)c1 ZINC000543062314 939915996 /nfs/dbraw/zinc/91/59/96/939915996.db2.gz CJMRFCRZXSAMAD-GDWUOILNSA-N 1 2 400.569 4.351 20 30 HIEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000543457157 940068368 /nfs/dbraw/zinc/06/83/68/940068368.db2.gz INEPCOQTWJPADO-ZHRRBRCNSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000543457157 940068370 /nfs/dbraw/zinc/06/83/70/940068370.db2.gz INEPCOQTWJPADO-ZHRRBRCNSA-N 1 2 410.949 4.288 20 30 HIEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)nc1C ZINC000543540684 940099120 /nfs/dbraw/zinc/09/91/20/940099120.db2.gz FHTCDYBOLAFIAZ-ZDUSSCGKSA-N 1 2 412.433 4.229 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000544516642 940468250 /nfs/dbraw/zinc/46/82/50/940468250.db2.gz HEDKPRXWZQGMER-LSDHHAIUSA-N 1 2 414.506 4.191 20 30 HIEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000545927861 940659833 /nfs/dbraw/zinc/65/98/33/940659833.db2.gz IJLZUBNOLBNNPH-UHFFFAOYSA-N 1 2 404.426 4.256 20 30 HIEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000547978615 941081689 /nfs/dbraw/zinc/08/16/89/941081689.db2.gz DZAWZORHCFYZFV-ZHRRBRCNSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000547978615 941081690 /nfs/dbraw/zinc/08/16/90/941081690.db2.gz DZAWZORHCFYZFV-ZHRRBRCNSA-N 1 2 410.949 4.288 20 30 HIEDLO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)o1 ZINC000552035877 941571284 /nfs/dbraw/zinc/57/12/84/941571284.db2.gz LXMOBZQLCQSPBO-WGSAOQKQSA-N 1 2 416.481 4.278 20 30 HIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000552580041 941711249 /nfs/dbraw/zinc/71/12/49/941711249.db2.gz ZFVHTQWALSPWFZ-AWEZNQCLSA-N 1 2 408.951 4.112 20 30 HIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000552580041 941711263 /nfs/dbraw/zinc/71/12/63/941711263.db2.gz ZFVHTQWALSPWFZ-AWEZNQCLSA-N 1 2 408.951 4.112 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556942391 942975476 /nfs/dbraw/zinc/97/54/76/942975476.db2.gz VJNDIOZEXHFWRA-PMACEKPBSA-N 1 2 417.887 4.329 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556942391 942975480 /nfs/dbraw/zinc/97/54/80/942975480.db2.gz VJNDIOZEXHFWRA-PMACEKPBSA-N 1 2 417.887 4.329 20 30 HIEDLO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000559935743 944091018 /nfs/dbraw/zinc/09/10/18/944091018.db2.gz LSYXGUOKFLGNCH-UHFFFAOYSA-N 1 2 405.523 4.474 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c(-c2ccncc2)n1 ZINC000560276865 944216751 /nfs/dbraw/zinc/21/67/51/944216751.db2.gz RAJLLKWJBDCMJS-QFIPXVFZSA-N 1 2 411.431 4.208 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c(-c2ccncc2)n1 ZINC000560276865 944216759 /nfs/dbraw/zinc/21/67/59/944216759.db2.gz RAJLLKWJBDCMJS-QFIPXVFZSA-N 1 2 411.431 4.208 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)Cc1ccc(CO)o1 ZINC000561962223 944876805 /nfs/dbraw/zinc/87/68/05/944876805.db2.gz UHNGEGRPALTCDB-UHFFFAOYSA-N 1 2 416.319 4.298 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)Cc1ccc(CO)o1 ZINC000561962223 944876809 /nfs/dbraw/zinc/87/68/09/944876809.db2.gz UHNGEGRPALTCDB-UHFFFAOYSA-N 1 2 416.319 4.298 20 30 HIEDLO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000564439239 945589303 /nfs/dbraw/zinc/58/93/03/945589303.db2.gz QXELNAZVHLDWIP-HRAATJIYSA-N 1 2 402.458 4.057 20 30 HIEDLO N#CCc1ccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1 ZINC000567196438 946266035 /nfs/dbraw/zinc/26/60/35/946266035.db2.gz JILHDVXRXSCYFY-UHFFFAOYSA-N 1 2 403.555 4.281 20 30 HIEDLO Cc1nn2c(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)c(C(C)C)nc2s1 ZINC000568696345 946664341 /nfs/dbraw/zinc/66/43/41/946664341.db2.gz CGIXEFGMFQJVRI-UHFFFAOYSA-N 1 2 413.522 4.277 20 30 HIEDLO COc1c(C)c[nH+]c(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)c1C ZINC000570005851 947070997 /nfs/dbraw/zinc/07/09/97/947070997.db2.gz QQNJBVQQXXTSOK-UHFFFAOYSA-N 1 2 419.510 4.101 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(C(=O)Nc2c[nH+]ccc2-n2ccnn2)cc1Cl ZINC000574165002 948377802 /nfs/dbraw/zinc/37/78/02/948377802.db2.gz ZXNBMCVVZCYUJN-UHFFFAOYSA-N 1 2 416.828 4.232 20 30 HIEDLO N#Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1Br ZINC000575090568 948589316 /nfs/dbraw/zinc/58/93/16/948589316.db2.gz CXVQUJAEGMKCAW-SFHVURJKSA-N 1 2 416.344 4.049 20 30 HIEDLO N#Cc1ccc(C2(C(=O)NC[C@H](c3c(F)cccc3Cl)[NH+]3CCCC3)CC2)cc1 ZINC000436101858 861385136 /nfs/dbraw/zinc/38/51/36/861385136.db2.gz MMCBSNJUCAGIFL-HXUWFJFHSA-N 1 2 411.908 4.336 20 30 HIEDLO N#Cc1ccc(OCCSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)cc1 ZINC000012135080 845855708 /nfs/dbraw/zinc/85/57/08/845855708.db2.gz LZLAQAXHMPKPKW-UHFFFAOYSA-N 1 2 419.554 4.296 20 30 HIEDLO Cc1cc(OCCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000017843297 846274169 /nfs/dbraw/zinc/27/41/69/846274169.db2.gz QOKPKBBILTVGAC-UHFFFAOYSA-N 1 2 411.933 4.024 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1cccs1 ZINC000021308988 846427318 /nfs/dbraw/zinc/42/73/18/846427318.db2.gz TXGIREFGLHDCNW-QGZVFWFLSA-N 1 2 423.460 4.042 20 30 HIEDLO C=CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1cccs1 ZINC000021308988 846427325 /nfs/dbraw/zinc/42/73/25/846427325.db2.gz TXGIREFGLHDCNW-QGZVFWFLSA-N 1 2 423.460 4.042 20 30 HIEDLO C=CCSc1ccccc1NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022802474 846623069 /nfs/dbraw/zinc/62/30/69/846623069.db2.gz OBIOKKVKFOJGLZ-DHZHZOJOSA-N 1 2 407.583 4.234 20 30 HIEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)n2)C1 ZINC000436453305 861809352 /nfs/dbraw/zinc/80/93/52/861809352.db2.gz OKYIINQKKNNVDT-AWEZNQCLSA-N 1 2 407.499 4.154 20 30 HIEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)n2)C1 ZINC000436453305 861809353 /nfs/dbraw/zinc/80/93/53/861809353.db2.gz OKYIINQKKNNVDT-AWEZNQCLSA-N 1 2 407.499 4.154 20 30 HIEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1 ZINC000031164745 847834384 /nfs/dbraw/zinc/83/43/84/847834384.db2.gz DXIKPVDEKMDFOW-UHFFFAOYSA-N 1 2 405.498 4.384 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000042563733 848328338 /nfs/dbraw/zinc/32/83/38/848328338.db2.gz WYLCBVHAYPYAAK-INIZCTEOSA-N 1 2 409.555 4.117 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)cc1 ZINC000044326750 848545515 /nfs/dbraw/zinc/54/55/15/848545515.db2.gz PJCJYUMHJSIVAS-UHFFFAOYSA-N 1 2 404.514 4.229 20 30 HIEDLO N#CCc1ccc(OCc2cccc(NC(=O)NCCCNc3cccc[nH+]3)c2)cc1 ZINC000046945043 848963612 /nfs/dbraw/zinc/96/36/12/848963612.db2.gz UKBAKAFJQBHJLO-UHFFFAOYSA-N 1 2 415.497 4.350 20 30 HIEDLO C=CCn1c2ccccc2nc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000053283260 849689433 /nfs/dbraw/zinc/68/94/33/849689433.db2.gz AWHATQLXKSMAAB-UHFFFAOYSA-N 1 2 413.572 4.005 20 30 HIEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000063300400 851654937 /nfs/dbraw/zinc/65/49/37/851654937.db2.gz AOBRZVGYTHYQFR-UHFFFAOYSA-N 1 2 403.385 4.265 20 30 HIEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000063300400 851654942 /nfs/dbraw/zinc/65/49/42/851654942.db2.gz AOBRZVGYTHYQFR-UHFFFAOYSA-N 1 2 403.385 4.265 20 30 HIEDLO CCCC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1F ZINC000063754915 851755932 /nfs/dbraw/zinc/75/59/32/851755932.db2.gz PBHQMDGZICXXAS-UHFFFAOYSA-N 1 2 405.477 4.124 20 30 HIEDLO CCCC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1F ZINC000063754915 851755941 /nfs/dbraw/zinc/75/59/41/851755941.db2.gz PBHQMDGZICXXAS-UHFFFAOYSA-N 1 2 405.477 4.124 20 30 HIEDLO N#Cc1c(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cn2ccccc12 ZINC000105549519 852712969 /nfs/dbraw/zinc/71/29/69/852712969.db2.gz KRDMZKZNLQYYMA-UHFFFAOYSA-N 1 2 414.538 4.280 20 30 HIEDLO C=CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000108635626 852867071 /nfs/dbraw/zinc/86/70/71/852867071.db2.gz KBLYMRFKWKEGNX-QZTJIDSGSA-N 1 2 410.514 4.122 20 30 HIEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3coc(-c4ccc(C)cc4)n3)c2)n1 ZINC000110183680 853070301 /nfs/dbraw/zinc/07/03/01/853070301.db2.gz ORGNLBFPGLYFTN-UHFFFAOYSA-N 1 2 415.497 4.349 20 30 HIEDLO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)Nc4oc(C)c(C)c4C#N)CC3)c2c1 ZINC000142113114 853488009 /nfs/dbraw/zinc/48/80/09/853488009.db2.gz AKASPMPISIJFAA-UHFFFAOYSA-N 1 2 406.486 4.076 20 30 HIEDLO N#Cc1cc(CN2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccn1 ZINC000222213669 853876895 /nfs/dbraw/zinc/87/68/95/853876895.db2.gz GXSSXPPPBISYMX-UHFFFAOYSA-N 1 2 404.464 4.139 20 30 HIEDLO N#Cc1nc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)ccc1Cl ZINC000301185653 854323063 /nfs/dbraw/zinc/32/30/63/854323063.db2.gz UGEFCTCCBDUKIM-UHFFFAOYSA-N 1 2 422.895 4.079 20 30 HIEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301332737 854361503 /nfs/dbraw/zinc/36/15/03/854361503.db2.gz FEWSAYYRURXQHR-UHFFFAOYSA-N 1 2 413.890 4.052 20 30 HIEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000303693042 855137527 /nfs/dbraw/zinc/13/75/27/855137527.db2.gz QAQYBRWRMNDUQM-GHMZBOCLSA-N 1 2 400.338 4.208 20 30 HIEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000303693042 855137529 /nfs/dbraw/zinc/13/75/29/855137529.db2.gz QAQYBRWRMNDUQM-GHMZBOCLSA-N 1 2 400.338 4.208 20 30 HIEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000426070483 856085965 /nfs/dbraw/zinc/08/59/65/856085965.db2.gz CTVCWAQPGCYCBC-AZUAARDMSA-N 1 2 423.423 4.406 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428708221 857304068 /nfs/dbraw/zinc/30/40/68/857304068.db2.gz FHJBWRMKKFFQPC-NQIIRXRSSA-N 1 2 416.447 4.021 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428708221 857304077 /nfs/dbraw/zinc/30/40/77/857304077.db2.gz FHJBWRMKKFFQPC-NQIIRXRSSA-N 1 2 416.447 4.021 20 30 HIEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429221679 857561955 /nfs/dbraw/zinc/56/19/55/857561955.db2.gz LANMTYPUDWBYBD-ZDUSSCGKSA-N 1 2 403.313 4.467 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430919850 858370976 /nfs/dbraw/zinc/37/09/76/858370976.db2.gz SDUVZCZYZSLFEW-PKOBYXMFSA-N 1 2 423.582 4.159 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430919850 858370978 /nfs/dbraw/zinc/37/09/78/858370978.db2.gz SDUVZCZYZSLFEW-PKOBYXMFSA-N 1 2 423.582 4.159 20 30 HIEDLO N#CCSc1cccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000430920626 858371035 /nfs/dbraw/zinc/37/10/35/858371035.db2.gz PPNQSMZBYLXCPR-UHFFFAOYSA-N 1 2 416.510 4.191 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000431473143 858633375 /nfs/dbraw/zinc/63/33/75/858633375.db2.gz UBUSOCZOICCLKJ-BHIFYINESA-N 1 2 412.484 4.444 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000431473143 858633377 /nfs/dbraw/zinc/63/33/77/858633377.db2.gz UBUSOCZOICCLKJ-BHIFYINESA-N 1 2 412.484 4.444 20 30 HIEDLO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@@H](CCCC#N)c3ccccc3)s2)cc1 ZINC000433007527 859474830 /nfs/dbraw/zinc/47/48/30/859474830.db2.gz ACRRTHJQNGWUSJ-FQEVSTJZSA-N 1 2 419.554 4.301 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)Cc1ccc(OC)cc1 ZINC000434803057 860500349 /nfs/dbraw/zinc/50/03/49/860500349.db2.gz OJAMEMBOOCYPJK-UHFFFAOYSA-N 1 2 418.541 4.433 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)Cc1ccc(OC)cc1 ZINC000434803057 860500358 /nfs/dbraw/zinc/50/03/58/860500358.db2.gz OJAMEMBOOCYPJK-UHFFFAOYSA-N 1 2 418.541 4.433 20 30 HIEDLO N#CCCCn1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc21 ZINC000434975682 860582825 /nfs/dbraw/zinc/58/28/25/860582825.db2.gz FNBSBZNXSWDPSR-DHZHZOJOSA-N 1 2 412.537 4.416 20 30 HIEDLO C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)Cc1cc(C#N)ccc1F ZINC000434984973 860586133 /nfs/dbraw/zinc/58/61/33/860586133.db2.gz DPVHDZIPBFRXOJ-UHFFFAOYSA-N 1 2 405.267 4.253 20 30 HIEDLO C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)Cc1cc(C#N)ccc1F ZINC000434984973 860586140 /nfs/dbraw/zinc/58/61/40/860586140.db2.gz DPVHDZIPBFRXOJ-UHFFFAOYSA-N 1 2 405.267 4.253 20 30 HIEDLO N#Cc1cccc(C2(C(=O)NC[C@@H](c3c(F)cccc3Cl)[NH+]3CCCC3)CC2)c1 ZINC000435574198 860892154 /nfs/dbraw/zinc/89/21/54/860892154.db2.gz MXHJESOUYBUVRG-FQEVSTJZSA-N 1 2 411.908 4.336 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(C#N)cc2C)cc1 ZINC000439076283 864526829 /nfs/dbraw/zinc/52/68/29/864526829.db2.gz FTRCIYCCWSKEGQ-UHFFFAOYSA-N 1 2 402.498 4.195 20 30 HIEDLO N#Cc1cc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccc1OC(F)(F)F ZINC000442191145 867212588 /nfs/dbraw/zinc/21/25/88/867212588.db2.gz QKGZQVLNLMZMRK-UHFFFAOYSA-N 1 2 421.423 4.378 20 30 HIEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](c3cccc(Cl)c3)c3ccccn3)C2=O)cc1 ZINC000447890221 871803073 /nfs/dbraw/zinc/80/30/73/871803073.db2.gz VRNFEAPSHJEZAK-PKTZIBPZSA-N 1 2 416.912 4.481 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000460813473 873694895 /nfs/dbraw/zinc/69/48/95/873694895.db2.gz CXIYOZYLUCRUFO-NHCUHLMSSA-N 1 2 414.336 4.313 20 30 HIEDLO Cc1cc(C)c2ncc(C#N)c(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)c2c1 ZINC000461451124 874511351 /nfs/dbraw/zinc/51/13/51/874511351.db2.gz CHZHYUSKSFIIPX-UHFFFAOYSA-N 1 2 400.530 4.272 20 30 HIEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc1F ZINC000461452208 874513009 /nfs/dbraw/zinc/51/30/09/874513009.db2.gz UTZLWHXFYUXNFO-UHFFFAOYSA-N 1 2 410.880 4.230 20 30 HIEDLO Cc1nc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(Cl)cc1C#N ZINC000461716724 874865637 /nfs/dbraw/zinc/86/56/37/874865637.db2.gz GFAAGCBVVAYXHH-UHFFFAOYSA-N 1 2 410.934 4.243 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4ccccc4)ns3)CC2)cc1 ZINC000462029312 875144218 /nfs/dbraw/zinc/14/42/18/875144218.db2.gz SRLBNDNCGBYCSN-UHFFFAOYSA-N 1 2 402.523 4.030 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4ccccc4)ns3)CC2)cc1 ZINC000462029312 875144224 /nfs/dbraw/zinc/14/42/24/875144224.db2.gz SRLBNDNCGBYCSN-UHFFFAOYSA-N 1 2 402.523 4.030 20 30 HIEDLO CSc1cccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2cc(F)ccc2F)c1 ZINC000462178228 875277090 /nfs/dbraw/zinc/27/70/90/875277090.db2.gz UTTKIXAXQOMLGX-VXKWHMMOSA-N 1 2 415.509 4.174 20 30 HIEDLO COc1cccc([C@@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)c2ccccc2Cl)c1 ZINC000462233594 875345895 /nfs/dbraw/zinc/34/58/95/875345895.db2.gz DIGRXVJILRAKPX-XMMPIXPASA-N 1 2 419.912 4.216 20 30 HIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000462254836 875377521 /nfs/dbraw/zinc/37/75/21/875377521.db2.gz IGJRCWSCBNYJOR-CYBMUJFWSA-N 1 2 406.458 4.132 20 30 HIEDLO COCC[N@H+](Cc1nc2ccc(Br)cc2o1)Cc1ccc(C#N)cc1 ZINC000463083517 876114800 /nfs/dbraw/zinc/11/48/00/876114800.db2.gz SFALXFVMPHOZEO-UHFFFAOYSA-N 1 2 400.276 4.111 20 30 HIEDLO COCC[N@@H+](Cc1nc2ccc(Br)cc2o1)Cc1ccc(C#N)cc1 ZINC000463083517 876114805 /nfs/dbraw/zinc/11/48/05/876114805.db2.gz SFALXFVMPHOZEO-UHFFFAOYSA-N 1 2 400.276 4.111 20 30 HIEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Br)cc1OCCCO ZINC000463376875 876433341 /nfs/dbraw/zinc/43/33/41/876433341.db2.gz MAIUFKSDKOAMDV-CYBMUJFWSA-N 1 2 407.283 4.072 20 30 HIEDLO CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000464044668 877184249 /nfs/dbraw/zinc/18/42/49/877184249.db2.gz BCDHTHNDEBWNCC-IBGZPJMESA-N 1 2 419.573 4.401 20 30 HIEDLO CCN(C(=O)[C@H](C)c1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000464044669 877184599 /nfs/dbraw/zinc/18/45/99/877184599.db2.gz BCDHTHNDEBWNCC-LJQANCHMSA-N 1 2 419.573 4.401 20 30 HIEDLO C=CCOc1ccccc1CNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000465885297 879540547 /nfs/dbraw/zinc/54/05/47/879540547.db2.gz CNLMRMNJCMIBNF-UHFFFAOYSA-N 1 2 408.546 4.095 20 30 HIEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2ncccc2OCCCC#N)c(C)c1 ZINC000466617764 880388381 /nfs/dbraw/zinc/38/83/81/880388381.db2.gz RFMRDNBFYMBSDJ-FQEVSTJZSA-N 1 2 418.501 4.141 20 30 HIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000467186117 880912397 /nfs/dbraw/zinc/91/23/97/880912397.db2.gz KWJBCQQJDHEKBW-LJQANCHMSA-N 1 2 401.514 4.128 20 30 HIEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000467186117 880912408 /nfs/dbraw/zinc/91/24/08/880912408.db2.gz KWJBCQQJDHEKBW-LJQANCHMSA-N 1 2 401.514 4.128 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1csc(Br)c1 ZINC000467193327 880921788 /nfs/dbraw/zinc/92/17/88/880921788.db2.gz FZEMHDCYAMZWAD-CYBMUJFWSA-N 1 2 424.339 4.417 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1csc(Br)c1 ZINC000467193327 880921794 /nfs/dbraw/zinc/92/17/94/880921794.db2.gz FZEMHDCYAMZWAD-CYBMUJFWSA-N 1 2 424.339 4.417 20 30 HIEDLO C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469381695 883519859 /nfs/dbraw/zinc/51/98/59/883519859.db2.gz PWDGNLPMDNQMID-HRAATJIYSA-N 1 2 404.445 4.409 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000469444719 883638462 /nfs/dbraw/zinc/63/84/62/883638462.db2.gz PQIMWHBXBTYHAR-UHFFFAOYSA-N 1 2 402.523 4.030 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000469444719 883638478 /nfs/dbraw/zinc/63/84/78/883638478.db2.gz PQIMWHBXBTYHAR-UHFFFAOYSA-N 1 2 402.523 4.030 20 30 HIEDLO CC(C)n1ncc2cc(C[NH+]3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)cnc21 ZINC000471013934 885515333 /nfs/dbraw/zinc/51/53/33/885515333.db2.gz YOEQZFGTCYKUPO-OAQYLSRUSA-N 1 2 408.937 4.048 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471971978 886803448 /nfs/dbraw/zinc/80/34/48/886803448.db2.gz YCADVMJAMQIXHX-ICSRJNTNSA-N 1 2 402.420 4.241 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471971978 886803450 /nfs/dbraw/zinc/80/34/50/886803450.db2.gz YCADVMJAMQIXHX-ICSRJNTNSA-N 1 2 402.420 4.241 20 30 HIEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](c4cccs4)C3)sc2C1 ZINC000472824692 887670679 /nfs/dbraw/zinc/67/06/79/887670679.db2.gz CSJLBOMXIQMXEE-WMLDXEAASA-N 1 2 415.584 4.208 20 30 HIEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H](c4cccs4)C3)sc2C1 ZINC000472824692 887670684 /nfs/dbraw/zinc/67/06/84/887670684.db2.gz CSJLBOMXIQMXEE-WMLDXEAASA-N 1 2 415.584 4.208 20 30 HIEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000474598593 889466416 /nfs/dbraw/zinc/46/64/16/889466416.db2.gz XKGHKSFUXQGOAH-UHFFFAOYSA-N 1 2 411.465 4.415 20 30 HIEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000475332460 890251629 /nfs/dbraw/zinc/25/16/29/890251629.db2.gz GHQWGKIYXYUZMR-NRFANRHFSA-N 1 2 409.896 4.252 20 30 HIEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000475347228 890270352 /nfs/dbraw/zinc/27/03/52/890270352.db2.gz GTUGFGQKGYSLAJ-OAQYLSRUSA-N 1 2 409.896 4.252 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000475755346 890702589 /nfs/dbraw/zinc/70/25/89/890702589.db2.gz LVJMCUGBARIOSE-OAHLLOKOSA-N 1 2 409.223 4.311 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000476655553 891600411 /nfs/dbraw/zinc/60/04/11/891600411.db2.gz HCLOXQJDPIXAPT-PZJWPPBQSA-N 1 2 415.459 4.470 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000476655553 891600419 /nfs/dbraw/zinc/60/04/19/891600419.db2.gz HCLOXQJDPIXAPT-PZJWPPBQSA-N 1 2 415.459 4.470 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000477075747 892009815 /nfs/dbraw/zinc/00/98/15/892009815.db2.gz MAYSNPCZNKIPIV-RKOGDMNLSA-N 1 2 402.585 4.334 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000477075747 892009834 /nfs/dbraw/zinc/00/98/34/892009834.db2.gz MAYSNPCZNKIPIV-RKOGDMNLSA-N 1 2 402.585 4.334 20 30 HIEDLO C=C(C)[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccc(F)c(F)c1 ZINC000477754916 892846153 /nfs/dbraw/zinc/84/61/53/892846153.db2.gz MQSHNNZFKKSFEY-HRAATJIYSA-N 1 2 400.473 4.065 20 30 HIEDLO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCCCn1cc[nH+]c1 ZINC000478939170 894220272 /nfs/dbraw/zinc/22/02/72/894220272.db2.gz LMPPPWRQFARXQR-UHFFFAOYSA-N 1 2 423.542 4.042 20 30 HIEDLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000479459491 894781474 /nfs/dbraw/zinc/78/14/74/894781474.db2.gz WWTLHEWFJRGAED-UHFFFAOYSA-N 1 2 415.864 4.294 20 30 HIEDLO N#Cc1ccccc1Sc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000479512750 894826331 /nfs/dbraw/zinc/82/63/31/894826331.db2.gz CTUDCKIAWNARTL-UHFFFAOYSA-N 1 2 402.523 4.215 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000479861220 895196218 /nfs/dbraw/zinc/19/62/18/895196218.db2.gz YCHYJQPSLWXYIK-YJSIEXFISA-N 1 2 424.495 4.191 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000479861220 895196226 /nfs/dbraw/zinc/19/62/26/895196226.db2.gz YCHYJQPSLWXYIK-YJSIEXFISA-N 1 2 424.495 4.191 20 30 HIEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)[nH]1 ZINC000481543527 896905450 /nfs/dbraw/zinc/90/54/50/896905450.db2.gz KZRDOTUWNFBBCT-UHFFFAOYSA-N 1 2 410.930 4.226 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000481620585 897004993 /nfs/dbraw/zinc/00/49/93/897004993.db2.gz COLAGFAZJWSGLR-UHFFFAOYSA-N 1 2 421.476 4.417 20 30 HIEDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(C)n1-c1nccs1 ZINC000481788873 897169080 /nfs/dbraw/zinc/16/90/80/897169080.db2.gz VLXCIKQBNMDVIJ-UHFFFAOYSA-N 1 2 420.538 4.148 20 30 HIEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)c2)cc1 ZINC000505475713 914153977 /nfs/dbraw/zinc/15/39/77/914153977.db2.gz FIWKXYZIMIIQQX-HSZRJFAPSA-N 1 2 400.457 4.228 20 30 HIEDLO N#Cc1cccc(COc2cccc(CNc3cc(CSCCO)cc[nH+]3)c2)c1 ZINC000482666173 898268120 /nfs/dbraw/zinc/26/81/20/898268120.db2.gz UHAYHIJTJPRQNK-UHFFFAOYSA-N 1 2 405.523 4.370 20 30 HIEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)c2)cc1 ZINC000505552481 914257055 /nfs/dbraw/zinc/25/70/55/914257055.db2.gz ZZJYAGHMAZIKAW-DEOSSOPVSA-N 1 2 415.468 4.063 20 30 HIEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000483249001 898891300 /nfs/dbraw/zinc/89/13/00/898891300.db2.gz SRFQLFGMXXMLDT-FQEVSTJZSA-N 1 2 414.509 4.373 20 30 HIEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000505808992 914468187 /nfs/dbraw/zinc/46/81/87/914468187.db2.gz KVUOHHYSFSRNNL-GOSISDBHSA-N 1 2 403.442 4.073 20 30 HIEDLO C[N@H+](Cc1csc(Br)c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485817091 901066733 /nfs/dbraw/zinc/06/67/33/901066733.db2.gz PZNFIJWQRITBSI-MRXNPFEDSA-N 1 2 404.333 4.010 20 30 HIEDLO C[N@@H+](Cc1csc(Br)c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485817091 901066743 /nfs/dbraw/zinc/06/67/43/901066743.db2.gz PZNFIJWQRITBSI-MRXNPFEDSA-N 1 2 404.333 4.010 20 30 HIEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(C#N)c1C ZINC000490065659 903755625 /nfs/dbraw/zinc/75/56/25/903755625.db2.gz KNPDILADYDVQJH-HNNXBMFYSA-N 1 2 414.600 4.390 20 30 HIEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(C#N)c1C ZINC000490065659 903755638 /nfs/dbraw/zinc/75/56/38/903755638.db2.gz KNPDILADYDVQJH-HNNXBMFYSA-N 1 2 414.600 4.390 20 30 HIEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](c4ccccc4)C3)sc2C1 ZINC000506105222 914805936 /nfs/dbraw/zinc/80/59/36/914805936.db2.gz IERQLSRDVRTRQS-UZLBHIALSA-N 1 2 409.555 4.147 20 30 HIEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@H](c4ccccc4)C3)sc2C1 ZINC000506105222 914805939 /nfs/dbraw/zinc/80/59/39/914805939.db2.gz IERQLSRDVRTRQS-UZLBHIALSA-N 1 2 409.555 4.147 20 30 HIEDLO C=CC[N@@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000494643020 905878366 /nfs/dbraw/zinc/87/83/66/905878366.db2.gz MEXWYKZNMVXDJW-QGZVFWFLSA-N 1 2 404.264 4.155 20 30 HIEDLO C=CC[N@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000494643020 905878368 /nfs/dbraw/zinc/87/83/68/905878368.db2.gz MEXWYKZNMVXDJW-QGZVFWFLSA-N 1 2 404.264 4.155 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000512506738 921206094 /nfs/dbraw/zinc/20/60/94/921206094.db2.gz PHJJXBBMIWCJGV-JOCHJYFZSA-N 1 2 416.516 4.312 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000512506738 921206104 /nfs/dbraw/zinc/20/61/04/921206104.db2.gz PHJJXBBMIWCJGV-JOCHJYFZSA-N 1 2 416.516 4.312 20 30 HIEDLO COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000495435674 906450701 /nfs/dbraw/zinc/45/07/01/906450701.db2.gz ZCPWRRYWKLIVAQ-SFHVURJKSA-N 1 2 416.884 4.318 20 30 HIEDLO CC[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497608564 907087045 /nfs/dbraw/zinc/08/70/45/907087045.db2.gz AJNKOIIEPIWDDO-OAHLLOKOSA-N 1 2 421.360 4.178 20 30 HIEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497608564 907087063 /nfs/dbraw/zinc/08/70/63/907087063.db2.gz AJNKOIIEPIWDDO-OAHLLOKOSA-N 1 2 421.360 4.178 20 30 HIEDLO CC[N@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497621443 907101057 /nfs/dbraw/zinc/10/10/57/907101057.db2.gz VBLDJDQANIEFFG-CYBMUJFWSA-N 1 2 415.419 4.475 20 30 HIEDLO CC[N@@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497621443 907101087 /nfs/dbraw/zinc/10/10/87/907101087.db2.gz VBLDJDQANIEFFG-CYBMUJFWSA-N 1 2 415.419 4.475 20 30 HIEDLO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806482 921315229 /nfs/dbraw/zinc/31/52/29/921315229.db2.gz WOOGASNXNAKOMH-UHFFFAOYSA-N 1 2 401.869 4.141 20 30 HIEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512845748 921349597 /nfs/dbraw/zinc/34/95/97/921349597.db2.gz UTVXPLZEPUAEDA-AWEZNQCLSA-N 1 2 401.869 4.221 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498273544 907810454 /nfs/dbraw/zinc/81/04/54/907810454.db2.gz CUIRUAMPMRAGKH-WOJBJXKFSA-N 1 2 405.901 4.258 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498273544 907810455 /nfs/dbraw/zinc/81/04/55/907810455.db2.gz CUIRUAMPMRAGKH-WOJBJXKFSA-N 1 2 405.901 4.258 20 30 HIEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000500091866 909570590 /nfs/dbraw/zinc/57/05/90/909570590.db2.gz MQFTVZMXDMDKJK-OALUTQOASA-N 1 2 419.312 4.058 20 30 HIEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000500091866 909570603 /nfs/dbraw/zinc/57/06/03/909570603.db2.gz MQFTVZMXDMDKJK-OALUTQOASA-N 1 2 419.312 4.058 20 30 HIEDLO N#Cc1cccc(-c2csc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000501179297 910346204 /nfs/dbraw/zinc/34/62/04/910346204.db2.gz WMLQXTDOFCOBEN-HXUWFJFHSA-N 1 2 406.486 4.424 20 30 HIEDLO N#Cc1cccc(-c2csc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000501179297 910346213 /nfs/dbraw/zinc/34/62/13/910346213.db2.gz WMLQXTDOFCOBEN-HXUWFJFHSA-N 1 2 406.486 4.424 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C)c2c(F)cncc2F)c1C#N ZINC000513237338 921648357 /nfs/dbraw/zinc/64/83/57/921648357.db2.gz YGTXMLLIOOVJDI-ZDUSSCGKSA-N 1 2 401.461 4.054 20 30 HIEDLO CCN(C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1nc2ccccc2s1 ZINC000502530775 911535155 /nfs/dbraw/zinc/53/51/55/911535155.db2.gz LLMGUPFIQZMVFA-UHFFFAOYSA-N 1 2 402.523 4.310 20 30 HIEDLO CCN(C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1nc2ccccc2s1 ZINC000502530775 911535159 /nfs/dbraw/zinc/53/51/59/911535159.db2.gz LLMGUPFIQZMVFA-UHFFFAOYSA-N 1 2 402.523 4.310 20 30 HIEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000506746657 915438353 /nfs/dbraw/zinc/43/83/53/915438353.db2.gz HTMIGCMDUMHMHD-UHFFFAOYSA-N 1 2 401.514 4.151 20 30 HIEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000506746657 915438373 /nfs/dbraw/zinc/43/83/73/915438373.db2.gz HTMIGCMDUMHMHD-UHFFFAOYSA-N 1 2 401.514 4.151 20 30 HIEDLO CCOc1ccc(-c2noc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000507773661 916559061 /nfs/dbraw/zinc/55/90/61/916559061.db2.gz UZTQZDMPHXDGKK-UHFFFAOYSA-N 1 2 404.470 4.050 20 30 HIEDLO C[C@@H]1CCN(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c2ccccc2S1 ZINC000507805820 916594678 /nfs/dbraw/zinc/59/46/78/916594678.db2.gz KSRHVGQROULAJY-GOSISDBHSA-N 1 2 421.566 4.319 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000508222217 917041711 /nfs/dbraw/zinc/04/17/11/917041711.db2.gz UBYHGFGYHXTBQM-UHFFFAOYSA-N 1 2 410.302 4.032 20 30 HIEDLO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508953839 917710167 /nfs/dbraw/zinc/71/01/67/917710167.db2.gz WCMXUWRDYSDKNB-UHFFFAOYSA-N 1 2 413.525 4.123 20 30 HIEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000509618608 918266480 /nfs/dbraw/zinc/26/64/80/918266480.db2.gz DPBNUGSGUAPIRS-GOSISDBHSA-N 1 2 406.530 4.407 20 30 HIEDLO CCCn1ccc2cc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000509876690 918477180 /nfs/dbraw/zinc/47/71/80/918477180.db2.gz GLVXAMFUEMKOSX-UHFFFAOYSA-N 1 2 401.514 4.273 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)c1 ZINC000510211996 918759075 /nfs/dbraw/zinc/75/90/75/918759075.db2.gz LTKJOZJSTQGPHM-UHFFFAOYSA-N 1 2 417.534 4.157 20 30 HIEDLO N#Cc1cccc(OC2CC[NH+](Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)c1 ZINC000510520518 918966327 /nfs/dbraw/zinc/96/63/27/918966327.db2.gz AGGTWALTCKVOQN-UHFFFAOYSA-N 1 2 419.506 4.454 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)CC2)cc1 ZINC000511326327 919919130 /nfs/dbraw/zinc/91/91/30/919919130.db2.gz RNXDTJAORMAYSB-QHCPKHFHSA-N 1 2 406.505 4.066 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000512209454 920954836 /nfs/dbraw/zinc/95/48/36/920954836.db2.gz BKBGMUMPHBMHJY-HNNXBMFYSA-N 1 2 421.335 4.248 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000512209454 920954847 /nfs/dbraw/zinc/95/48/47/920954847.db2.gz BKBGMUMPHBMHJY-HNNXBMFYSA-N 1 2 421.335 4.248 20 30 HIEDLO COc1cc(C[N@H+](CCC#N)CCC(C)C)cc(I)c1OC ZINC000513746060 922067462 /nfs/dbraw/zinc/06/74/62/922067462.db2.gz NCJYCGJTSSUSOG-UHFFFAOYSA-N 1 2 416.303 4.070 20 30 HIEDLO COc1cc(C[N@@H+](CCC#N)CCC(C)C)cc(I)c1OC ZINC000513746060 922067476 /nfs/dbraw/zinc/06/74/76/922067476.db2.gz NCJYCGJTSSUSOG-UHFFFAOYSA-N 1 2 416.303 4.070 20 30 HIEDLO COc1c(Cl)cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000513969475 922287983 /nfs/dbraw/zinc/28/79/83/922287983.db2.gz WXGJMMHMRFXVBG-UHFFFAOYSA-N 1 2 419.312 4.223 20 30 HIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(COc3ccccc3C#N)c2)c1C ZINC000514243889 922585075 /nfs/dbraw/zinc/58/50/75/922585075.db2.gz ZLSLWHITMMOGLW-UHFFFAOYSA-N 1 2 415.493 4.430 20 30 HIEDLO N#Cc1ccc(CNC(=O)C[NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)cc1 ZINC000519887822 928121418 /nfs/dbraw/zinc/12/14/18/928121418.db2.gz SHRNEWFVZZBOLW-HSZRJFAPSA-N 1 2 407.876 4.346 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2sc(CC)nc2C)cc1 ZINC000525120904 930048245 /nfs/dbraw/zinc/04/82/45/930048245.db2.gz CNYVMPIIYUBMBG-KRWDZBQOSA-N 1 2 414.575 4.352 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2sc(CC)nc2C)cc1 ZINC000525120904 930048248 /nfs/dbraw/zinc/04/82/48/930048248.db2.gz CNYVMPIIYUBMBG-KRWDZBQOSA-N 1 2 414.575 4.352 20 30 HIEDLO Cc1ccc(C(=O)C2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)c(C)c1 ZINC000525782239 930442507 /nfs/dbraw/zinc/44/25/07/930442507.db2.gz VHGMZPLYVLOHRD-UHFFFAOYSA-N 1 2 400.482 4.320 20 30 HIEDLO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(Br)c1O ZINC000526991002 930562732 /nfs/dbraw/zinc/56/27/32/930562732.db2.gz QCKIQZCXWHUQAR-UHFFFAOYSA-N 1 2 417.303 4.078 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1=O ZINC000532625139 931557568 /nfs/dbraw/zinc/55/75/68/931557568.db2.gz JXNHDNORUDQZDY-RDJZCZTQSA-N 1 2 408.552 4.214 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1=O ZINC000532625139 931557575 /nfs/dbraw/zinc/55/75/75/931557575.db2.gz JXNHDNORUDQZDY-RDJZCZTQSA-N 1 2 408.552 4.214 20 30 HIEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000532966383 931716960 /nfs/dbraw/zinc/71/69/60/931716960.db2.gz QRRUGXYMFSVHPZ-UHFFFAOYSA-N 1 2 403.404 4.059 20 30 HIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000533029172 931745140 /nfs/dbraw/zinc/74/51/40/931745140.db2.gz SXIXBRSXSJPJBL-JOCHJYFZSA-N 1 2 418.884 4.120 20 30 HIEDLO C[N@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000533282575 931827378 /nfs/dbraw/zinc/82/73/78/931827378.db2.gz DFUBVFFFVHVIAQ-CQSZACIVSA-N 1 2 422.373 4.490 20 30 HIEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000533282575 931827380 /nfs/dbraw/zinc/82/73/80/931827380.db2.gz DFUBVFFFVHVIAQ-CQSZACIVSA-N 1 2 422.373 4.490 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000533484391 931881243 /nfs/dbraw/zinc/88/12/43/931881243.db2.gz JZLPFFHGINRHEY-LJQANCHMSA-N 1 2 422.598 4.478 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535129048 932946969 /nfs/dbraw/zinc/94/69/69/932946969.db2.gz HPVAXVNNVKJHNM-ICSRJNTNSA-N 1 2 403.910 4.004 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535129048 932946992 /nfs/dbraw/zinc/94/69/92/932946992.db2.gz HPVAXVNNVKJHNM-ICSRJNTNSA-N 1 2 403.910 4.004 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538022643 938467118 /nfs/dbraw/zinc/46/71/18/938467118.db2.gz YWSUMSGXNXRWJI-NHCUHLMSSA-N 1 2 411.908 4.334 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538022643 938467125 /nfs/dbraw/zinc/46/71/25/938467125.db2.gz YWSUMSGXNXRWJI-NHCUHLMSSA-N 1 2 411.908 4.334 20 30 HIEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C ZINC000538071234 938494070 /nfs/dbraw/zinc/49/40/70/938494070.db2.gz KRZTZWUUHZSYGG-UHFFFAOYSA-N 1 2 424.508 4.196 20 30 HIEDLO C=CCOc1cccnc1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000538190994 938546409 /nfs/dbraw/zinc/54/64/09/938546409.db2.gz OPIHIEQYRTVPDE-UHFFFAOYSA-N 1 2 424.504 4.488 20 30 HIEDLO C=CC[N@@H+](Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)C1CC1 ZINC000538953736 938747417 /nfs/dbraw/zinc/74/74/17/938747417.db2.gz HKMMULUURXSUBR-UHFFFAOYSA-N 1 2 413.113 4.011 20 30 HIEDLO C=CC[N@H+](Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)C1CC1 ZINC000538953736 938747419 /nfs/dbraw/zinc/74/74/19/938747419.db2.gz HKMMULUURXSUBR-UHFFFAOYSA-N 1 2 413.113 4.011 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539156451 938813243 /nfs/dbraw/zinc/81/32/43/938813243.db2.gz YHXCEDXYJZGDEK-RTWAWAEBSA-N 1 2 414.912 4.328 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539156451 938813245 /nfs/dbraw/zinc/81/32/45/938813245.db2.gz YHXCEDXYJZGDEK-RTWAWAEBSA-N 1 2 414.912 4.328 20 30 HIEDLO C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000540747920 939357733 /nfs/dbraw/zinc/35/77/33/939357733.db2.gz NGYOMIKXAFGYOM-GOSISDBHSA-N 1 2 423.944 4.155 20 30 HIEDLO C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000540747920 939357739 /nfs/dbraw/zinc/35/77/39/939357739.db2.gz NGYOMIKXAFGYOM-GOSISDBHSA-N 1 2 423.944 4.155 20 30 HIEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541087307 939455377 /nfs/dbraw/zinc/45/53/77/939455377.db2.gz YBGHXNOQJDQADC-HXUWFJFHSA-N 1 2 406.404 4.038 20 30 HIEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541087307 939455379 /nfs/dbraw/zinc/45/53/79/939455379.db2.gz YBGHXNOQJDQADC-HXUWFJFHSA-N 1 2 406.404 4.038 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541154724 939478859 /nfs/dbraw/zinc/47/88/59/939478859.db2.gz WDUKJHOZMOBVDC-FPOVZHCZSA-N 1 2 421.463 4.273 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541154724 939478865 /nfs/dbraw/zinc/47/88/65/939478865.db2.gz WDUKJHOZMOBVDC-FPOVZHCZSA-N 1 2 421.463 4.273 20 30 HIEDLO Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)cc[nH+]1 ZINC000542655895 939851886 /nfs/dbraw/zinc/85/18/86/939851886.db2.gz BVFACUOUSYAKFL-DHIUTWEWSA-N 1 2 411.509 4.309 20 30 HIEDLO Cc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000543152738 939977013 /nfs/dbraw/zinc/97/70/13/939977013.db2.gz CIJZRQKWAOIQIC-QHCPKHFHSA-N 1 2 408.498 4.289 20 30 HIEDLO CSc1ccc([C@@H](CNC(=O)NCCCC#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000543355420 940040174 /nfs/dbraw/zinc/04/01/74/940040174.db2.gz GQHSMKPQSPAEGW-LJQANCHMSA-N 1 2 414.600 4.172 20 30 HIEDLO CSc1ccc([C@@H](CNC(=O)NCCCC#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000543355420 940040178 /nfs/dbraw/zinc/04/01/78/940040178.db2.gz GQHSMKPQSPAEGW-LJQANCHMSA-N 1 2 414.600 4.172 20 30 HIEDLO Cc1c([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cnn1-c1ccc(F)cc1 ZINC000543473222 940075692 /nfs/dbraw/zinc/07/56/92/940075692.db2.gz CEEVQLRWKORZNG-AWEZNQCLSA-N 1 2 402.433 4.092 20 30 HIEDLO CC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000543497238 940084865 /nfs/dbraw/zinc/08/48/65/940084865.db2.gz VASXPTXXPQXVNQ-NSHDSACASA-N 1 2 402.467 4.391 20 30 HIEDLO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543912336 940240063 /nfs/dbraw/zinc/24/00/63/940240063.db2.gz ZCWIBPDVJRNVAN-ROUUACIJSA-N 1 2 415.962 4.006 20 30 HIEDLO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543912336 940240081 /nfs/dbraw/zinc/24/00/81/940240081.db2.gz ZCWIBPDVJRNVAN-ROUUACIJSA-N 1 2 415.962 4.006 20 30 HIEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865993 941127175 /nfs/dbraw/zinc/12/71/75/941127175.db2.gz YAMWTWRAUMRRHO-VQTJNVASSA-N 1 2 416.569 4.083 20 30 HIEDLO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000549691065 941204695 /nfs/dbraw/zinc/20/46/95/941204695.db2.gz UAYQOCJZKNMOFX-UHFFFAOYSA-N 1 2 422.964 4.200 20 30 HIEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551713983 941531539 /nfs/dbraw/zinc/53/15/39/941531539.db2.gz PEBALGOVORMVHJ-GFCCVEGCSA-N 1 2 409.374 4.164 20 30 HIEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551713983 941531545 /nfs/dbraw/zinc/53/15/45/941531545.db2.gz PEBALGOVORMVHJ-GFCCVEGCSA-N 1 2 409.374 4.164 20 30 HIEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@H](c3cncc(Br)c3)C3CC3)o2)c1 ZINC000551721463 941533279 /nfs/dbraw/zinc/53/32/79/941533279.db2.gz WCBXJCRALXGHAM-SFHVURJKSA-N 1 2 410.275 4.007 20 30 HIEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000552517980 941693093 /nfs/dbraw/zinc/69/30/93/941693093.db2.gz RISQXAJFEVLNGW-HNNXBMFYSA-N 1 2 406.511 4.038 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553635562 941928328 /nfs/dbraw/zinc/92/83/28/941928328.db2.gz NTPKTQGBNJQDMQ-UHFFFAOYSA-N 1 2 402.376 4.162 20 30 HIEDLO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000553878555 941989148 /nfs/dbraw/zinc/98/91/48/941989148.db2.gz IBRBKSCJBJUULM-IBGZPJMESA-N 1 2 401.304 4.493 20 30 HIEDLO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000554566236 942168842 /nfs/dbraw/zinc/16/88/42/942168842.db2.gz YUPDHXCENFDJEN-NRFANRHFSA-N 1 2 424.548 4.233 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)c1 ZINC000554798040 942243879 /nfs/dbraw/zinc/24/38/79/942243879.db2.gz NJUGLOCZVVLGSJ-DEOSSOPVSA-N 1 2 416.502 4.457 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556942394 942975848 /nfs/dbraw/zinc/97/58/48/942975848.db2.gz VJNDIOZEXHFWRA-WOJBJXKFSA-N 1 2 417.887 4.329 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556942394 942975853 /nfs/dbraw/zinc/97/58/53/942975853.db2.gz VJNDIOZEXHFWRA-WOJBJXKFSA-N 1 2 417.887 4.329 20 30 HIEDLO Cc1ccc(NC(=O)Cc2nc(C[NH2+]C3(c4cccc(C#N)c4)CC3)cs2)cc1 ZINC000560173208 944186585 /nfs/dbraw/zinc/18/65/85/944186585.db2.gz AHAUXQLEJFGWLT-UHFFFAOYSA-N 1 2 402.523 4.283 20 30 HIEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000560600046 944269217 /nfs/dbraw/zinc/26/92/17/944269217.db2.gz IRZARULPLSJACG-XMMPIXPASA-N 1 2 413.546 4.210 20 30 HIEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000560688009 944295142 /nfs/dbraw/zinc/29/51/42/944295142.db2.gz HXSCBASRJLQWPA-UHFFFAOYSA-N 1 2 415.497 4.047 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)Cc1ccc(OC)cc1 ZINC000560855009 944359580 /nfs/dbraw/zinc/35/95/80/944359580.db2.gz MKPYKCCHJYCZHK-UHFFFAOYSA-N 1 2 404.514 4.124 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)Cc1ccc(OC)cc1 ZINC000560855009 944359584 /nfs/dbraw/zinc/35/95/84/944359584.db2.gz MKPYKCCHJYCZHK-UHFFFAOYSA-N 1 2 404.514 4.124 20 30 HIEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000561583991 944688074 /nfs/dbraw/zinc/68/80/74/944688074.db2.gz OGABFEOIYYYHAR-INIZCTEOSA-N 1 2 417.431 4.322 20 30 HIEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000561583991 944688082 /nfs/dbraw/zinc/68/80/82/944688082.db2.gz OGABFEOIYYYHAR-INIZCTEOSA-N 1 2 417.431 4.322 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000570749228 947345407 /nfs/dbraw/zinc/34/54/07/947345407.db2.gz NESGRNIHWXRLRW-UWJYYQICSA-N 1 2 409.555 4.265 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000570749228 947345420 /nfs/dbraw/zinc/34/54/20/947345420.db2.gz NESGRNIHWXRLRW-UWJYYQICSA-N 1 2 409.555 4.265 20 30 HIEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)c(OC)c1 ZINC000007740954 845403073 /nfs/dbraw/zinc/40/30/73/845403073.db2.gz XLCLWGYWVCPVHC-IBGZPJMESA-N 1 2 411.527 4.095 20 30 HIEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)c(OC)c1 ZINC000007740954 845403077 /nfs/dbraw/zinc/40/30/77/845403077.db2.gz XLCLWGYWVCPVHC-IBGZPJMESA-N 1 2 411.527 4.095 20 30 HIEDLO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3cccc(C#N)c3)[C@H](c3ccco3)C2)cc1 ZINC000026325480 847126935 /nfs/dbraw/zinc/12/69/35/847126935.db2.gz OVULQERLHXYQDS-QHCPKHFHSA-N 1 2 412.493 4.269 20 30 HIEDLO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3cccc(C#N)c3)[C@H](c3ccco3)C2)cc1 ZINC000026325480 847126939 /nfs/dbraw/zinc/12/69/39/847126939.db2.gz OVULQERLHXYQDS-QHCPKHFHSA-N 1 2 412.493 4.269 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(Br)s1 ZINC000026815236 847201771 /nfs/dbraw/zinc/20/17/71/847201771.db2.gz AOZLEPUDPSKJKP-SNVBAGLBSA-N 1 2 424.389 4.391 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(Br)s1 ZINC000026815236 847201776 /nfs/dbraw/zinc/20/17/76/847201776.db2.gz AOZLEPUDPSKJKP-SNVBAGLBSA-N 1 2 424.389 4.391 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000042563734 848328499 /nfs/dbraw/zinc/32/84/99/848328499.db2.gz WYLCBVHAYPYAAK-MRXNPFEDSA-N 1 2 409.555 4.117 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)c4ccccc4c3O)CC2)cc1 ZINC000436754242 861937252 /nfs/dbraw/zinc/93/72/52/861937252.db2.gz HRJMNWDWCULPFD-UHFFFAOYSA-N 1 2 419.912 4.419 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)c4ccccc4c3O)CC2)cc1 ZINC000436754242 861937278 /nfs/dbraw/zinc/93/72/78/861937278.db2.gz HRJMNWDWCULPFD-UHFFFAOYSA-N 1 2 419.912 4.419 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 ZINC000047064335 848979320 /nfs/dbraw/zinc/97/93/20/848979320.db2.gz RUWVRXMZSLEURT-UHFFFAOYSA-N 1 2 402.523 4.030 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 ZINC000047064335 848979327 /nfs/dbraw/zinc/97/93/27/848979327.db2.gz RUWVRXMZSLEURT-UHFFFAOYSA-N 1 2 402.523 4.030 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]cc3-c3ccc(Cl)s3)CC2)cc1 ZINC000054675445 849905941 /nfs/dbraw/zinc/90/59/41/849905941.db2.gz GGQYPDUITQTORO-UHFFFAOYSA-N 1 2 410.930 4.226 20 30 HIEDLO C=CC[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)Cc1cccc(C#N)c1 ZINC000063299939 851654487 /nfs/dbraw/zinc/65/44/87/851654487.db2.gz ZOPXUQRXSQZULM-UHFFFAOYSA-N 1 2 402.325 4.212 20 30 HIEDLO C=CC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)Cc1cccc(C#N)c1 ZINC000063299939 851654490 /nfs/dbraw/zinc/65/44/90/851654490.db2.gz ZOPXUQRXSQZULM-UHFFFAOYSA-N 1 2 402.325 4.212 20 30 HIEDLO COCC[N@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)Cc1ccc(C#N)cc1 ZINC000063754460 851755483 /nfs/dbraw/zinc/75/54/83/851755483.db2.gz BLAFGESBFSZOAW-LJQANCHMSA-N 1 2 401.510 4.037 20 30 HIEDLO COCC[N@@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)Cc1ccc(C#N)cc1 ZINC000063754460 851755491 /nfs/dbraw/zinc/75/54/91/851755491.db2.gz BLAFGESBFSZOAW-LJQANCHMSA-N 1 2 401.510 4.037 20 30 HIEDLO COCC[N@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)Cc1ccc(C#N)cc1 ZINC000063754561 851756214 /nfs/dbraw/zinc/75/62/14/851756214.db2.gz QBLOGGJIWXZSAW-UHFFFAOYSA-N 1 2 420.538 4.077 20 30 HIEDLO COCC[N@@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)Cc1ccc(C#N)cc1 ZINC000063754561 851756218 /nfs/dbraw/zinc/75/62/18/851756218.db2.gz QBLOGGJIWXZSAW-UHFFFAOYSA-N 1 2 420.538 4.077 20 30 HIEDLO COCC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)Cc1ccc(C#N)cc1 ZINC000063754505 851756300 /nfs/dbraw/zinc/75/63/00/851756300.db2.gz BOAYMSKWGUDDTN-OAHLLOKOSA-N 1 2 420.340 4.191 20 30 HIEDLO COCC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)Cc1ccc(C#N)cc1 ZINC000063754505 851756307 /nfs/dbraw/zinc/75/63/07/851756307.db2.gz BOAYMSKWGUDDTN-OAHLLOKOSA-N 1 2 420.340 4.191 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970917 852565591 /nfs/dbraw/zinc/56/55/91/852565591.db2.gz WUWHJKXCIDUCAA-UHFFFAOYSA-N 1 2 407.495 4.242 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970917 852565599 /nfs/dbraw/zinc/56/55/99/852565599.db2.gz WUWHJKXCIDUCAA-UHFFFAOYSA-N 1 2 407.495 4.242 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000108825215 852883243 /nfs/dbraw/zinc/88/32/43/852883243.db2.gz PAWXWJKGHHGAOR-UHFFFAOYSA-N 1 2 422.488 4.312 20 30 HIEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3cc(-c4ccccc4)no3)c2)n1 ZINC000110181294 853070122 /nfs/dbraw/zinc/07/01/22/853070122.db2.gz GXNUGVXFXKZDFZ-UHFFFAOYSA-N 1 2 401.470 4.040 20 30 HIEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000110480896 853106962 /nfs/dbraw/zinc/10/69/62/853106962.db2.gz MOHLKBQTSAWJIV-HMFYCAOWSA-N 1 2 422.529 4.126 20 30 HIEDLO C=CCNC(=O)Nc1ccc(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000148535254 853608698 /nfs/dbraw/zinc/60/86/98/853608698.db2.gz XXVXDWDHGFMXJN-UHFFFAOYSA-N 1 2 414.535 4.081 20 30 HIEDLO COc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1OCCCC#N ZINC000237347494 854010485 /nfs/dbraw/zinc/01/04/85/854010485.db2.gz IHXDXWDBGSUZDP-OAHLLOKOSA-N 1 2 410.449 4.418 20 30 HIEDLO N#Cc1ccnc(NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000302188655 854546127 /nfs/dbraw/zinc/54/61/27/854546127.db2.gz VAOJHRNTORSCGZ-UHFFFAOYSA-N 1 2 406.273 4.245 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000302743594 854618218 /nfs/dbraw/zinc/61/82/18/854618218.db2.gz SXUNYPHZQJFJRU-NRFANRHFSA-N 1 2 411.571 4.293 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000302743594 854618227 /nfs/dbraw/zinc/61/82/27/854618227.db2.gz SXUNYPHZQJFJRU-NRFANRHFSA-N 1 2 411.571 4.293 20 30 HIEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000303387059 854903941 /nfs/dbraw/zinc/90/39/41/854903941.db2.gz NYONEIFVYIADHM-GCJKJVERSA-N 1 2 403.551 4.500 20 30 HIEDLO C#CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000303387059 854903946 /nfs/dbraw/zinc/90/39/46/854903946.db2.gz NYONEIFVYIADHM-GCJKJVERSA-N 1 2 403.551 4.500 20 30 HIEDLO C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000303883621 855268316 /nfs/dbraw/zinc/26/83/16/855268316.db2.gz OSIDLYYXXKCRMD-XMMPIXPASA-N 1 2 416.546 4.164 20 30 HIEDLO C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000303883621 855268327 /nfs/dbraw/zinc/26/83/27/855268327.db2.gz OSIDLYYXXKCRMD-XMMPIXPASA-N 1 2 416.546 4.164 20 30 HIEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000409727207 855622717 /nfs/dbraw/zinc/62/27/17/855622717.db2.gz KAROTVFDKIOCFS-SJLPKXTDSA-N 1 2 410.827 4.109 20 30 HIEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000409727207 855622726 /nfs/dbraw/zinc/62/27/26/855622726.db2.gz KAROTVFDKIOCFS-SJLPKXTDSA-N 1 2 410.827 4.109 20 30 HIEDLO N#Cc1c(F)cccc1C[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000428324611 857153544 /nfs/dbraw/zinc/15/35/44/857153544.db2.gz YDTIJXURSHYIKB-LJQANCHMSA-N 1 2 405.395 4.169 20 30 HIEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH+]3[C@H](C)CC(O)C[C@H]3C)sc2C1 ZINC000429309352 857598711 /nfs/dbraw/zinc/59/87/11/857598711.db2.gz MPHAOWXPXLLGCU-BZUAXINKSA-N 1 2 417.619 4.333 20 30 HIEDLO CC(C)[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000430040673 858007252 /nfs/dbraw/zinc/00/72/52/858007252.db2.gz RIJSYAADLGZIND-UHFFFAOYSA-N 1 2 404.539 4.355 20 30 HIEDLO CC(C)[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000430040673 858007258 /nfs/dbraw/zinc/00/72/58/858007258.db2.gz RIJSYAADLGZIND-UHFFFAOYSA-N 1 2 404.539 4.355 20 30 HIEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)ccc1Br ZINC000430227346 858089672 /nfs/dbraw/zinc/08/96/72/858089672.db2.gz PHALRRYABDZQMY-HXUWFJFHSA-N 1 2 412.331 4.083 20 30 HIEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)ccc1Br ZINC000430227346 858089679 /nfs/dbraw/zinc/08/96/79/858089679.db2.gz PHALRRYABDZQMY-HXUWFJFHSA-N 1 2 412.331 4.083 20 30 HIEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000434040711 860058232 /nfs/dbraw/zinc/05/82/32/860058232.db2.gz HWOCFNWGRDGZLD-HXUWFJFHSA-N 1 2 401.491 4.398 20 30 HIEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C1=O ZINC000434545818 860394871 /nfs/dbraw/zinc/39/48/71/860394871.db2.gz CFXSPBKQUBTNFX-KRWDZBQOSA-N 1 2 408.552 4.214 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434684013 860459767 /nfs/dbraw/zinc/45/97/67/860459767.db2.gz JMZWYMHHBZTONG-SFHVURJKSA-N 1 2 407.489 4.056 20 30 HIEDLO N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000435101526 860642515 /nfs/dbraw/zinc/64/25/15/860642515.db2.gz BYHSMLIWXMPNHV-UHFFFAOYSA-N 1 2 415.497 4.466 20 30 HIEDLO N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000435101526 860642520 /nfs/dbraw/zinc/64/25/20/860642520.db2.gz BYHSMLIWXMPNHV-UHFFFAOYSA-N 1 2 415.497 4.466 20 30 HIEDLO C=CCC[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1 ZINC000435294172 860723304 /nfs/dbraw/zinc/72/33/04/860723304.db2.gz HEORLFJEVIKVEP-QFIPXVFZSA-N 1 2 402.498 4.349 20 30 HIEDLO C=CCC[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1 ZINC000435294171 860723438 /nfs/dbraw/zinc/72/34/38/860723438.db2.gz HEORLFJEVIKVEP-JOCHJYFZSA-N 1 2 402.498 4.349 20 30 HIEDLO CCCc1c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1cccc(C#N)c1 ZINC000439696863 865034183 /nfs/dbraw/zinc/03/41/83/865034183.db2.gz UPCROVDIQRYMLS-HTAPYJJXSA-N 1 2 417.517 4.008 20 30 HIEDLO CCOc1cc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)ccc1OC(F)F ZINC000441177157 866255565 /nfs/dbraw/zinc/25/55/65/866255565.db2.gz RBHNSGUQJJNQDJ-UHFFFAOYSA-N 1 2 414.412 4.240 20 30 HIEDLO CCOc1cc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)ccc1OC(F)F ZINC000441177157 866255584 /nfs/dbraw/zinc/25/55/84/866255584.db2.gz RBHNSGUQJJNQDJ-UHFFFAOYSA-N 1 2 414.412 4.240 20 30 HIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441184705 866258937 /nfs/dbraw/zinc/25/89/37/866258937.db2.gz PYCVMIHCFAGJGC-INIZCTEOSA-N 1 2 407.905 4.140 20 30 HIEDLO C=C(C)Cn1c(SCc2c[nH+]cn2Cc2ccccc2)nnc1-c1ccncc1 ZINC000445599931 869664533 /nfs/dbraw/zinc/66/45/33/869664533.db2.gz JVVYWKPAXSZYLZ-UHFFFAOYSA-N 1 2 402.527 4.453 20 30 HIEDLO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000447151047 871050055 /nfs/dbraw/zinc/05/00/55/871050055.db2.gz QXYPMOQWJVRRSO-UHFFFAOYSA-N 1 2 416.481 4.028 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)cc1 ZINC000447383564 871290172 /nfs/dbraw/zinc/29/01/72/871290172.db2.gz KIBLAMAKEKLXJL-UHFFFAOYSA-N 1 2 409.338 4.308 20 30 HIEDLO CCC(CC)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000460877167 873787300 /nfs/dbraw/zinc/78/73/00/873787300.db2.gz ATROEJHTPUFTCC-DEOSSOPVSA-N 1 2 421.541 4.213 20 30 HIEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)cc1F ZINC000461447532 874506595 /nfs/dbraw/zinc/50/65/95/874506595.db2.gz JDIULYAUMGLNRD-UHFFFAOYSA-N 1 2 408.452 4.024 20 30 HIEDLO CSc1cccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2cc(F)ccc2F)c1 ZINC000462178227 875276414 /nfs/dbraw/zinc/27/64/14/875276414.db2.gz UTTKIXAXQOMLGX-FGZHOGPDSA-N 1 2 415.509 4.174 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2c2ccccc2)sc2c1CCCCC2 ZINC000464839936 878107069 /nfs/dbraw/zinc/10/70/69/878107069.db2.gz RTWASZQQLJRQJP-HXUWFJFHSA-N 1 2 409.555 4.291 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2c2ccccc2)sc2c1CCCCC2 ZINC000464839936 878107084 /nfs/dbraw/zinc/10/70/84/878107084.db2.gz RTWASZQQLJRQJP-HXUWFJFHSA-N 1 2 409.555 4.291 20 30 HIEDLO C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000466149531 879856339 /nfs/dbraw/zinc/85/63/39/879856339.db2.gz KOKMKCUHVHQSJB-MQNAVGNWSA-N 1 2 422.960 4.436 20 30 HIEDLO N#CCCCn1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc21 ZINC000469743798 883899545 /nfs/dbraw/zinc/89/95/45/883899545.db2.gz HRSHESRZJJODFX-UHFFFAOYSA-N 1 2 403.530 4.474 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000469967343 884174777 /nfs/dbraw/zinc/17/47/77/884174777.db2.gz XHHYDIHYFBXWBR-UHFFFAOYSA-N 1 2 406.486 4.042 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025138 884243969 /nfs/dbraw/zinc/24/39/69/884243969.db2.gz SOSRJZGTTYMHRH-CZUORRHYSA-N 1 2 404.297 4.345 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025138 884243989 /nfs/dbraw/zinc/24/39/89/884243989.db2.gz SOSRJZGTTYMHRH-CZUORRHYSA-N 1 2 404.297 4.345 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470961451 885459634 /nfs/dbraw/zinc/45/96/34/885459634.db2.gz SMUNYAPHYLKOGG-QFBILLFUSA-N 1 2 418.463 4.236 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470961451 885459644 /nfs/dbraw/zinc/45/96/44/885459644.db2.gz SMUNYAPHYLKOGG-QFBILLFUSA-N 1 2 418.463 4.236 20 30 HIEDLO C[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000504436910 913248847 /nfs/dbraw/zinc/24/88/47/913248847.db2.gz RUHUATIEAIZPEZ-QRWLVFNGSA-N 1 2 412.331 4.335 20 30 HIEDLO COc1ccc(C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)C)c(OC)c1 ZINC000474179524 889018524 /nfs/dbraw/zinc/01/85/24/889018524.db2.gz AORYZBKSYRYZCS-UHFFFAOYSA-N 1 2 406.486 4.426 20 30 HIEDLO COc1ccc(C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)C)c(OC)c1 ZINC000474179524 889018531 /nfs/dbraw/zinc/01/85/31/889018531.db2.gz AORYZBKSYRYZCS-UHFFFAOYSA-N 1 2 406.486 4.426 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C2 ZINC000474899417 889759400 /nfs/dbraw/zinc/75/94/00/889759400.db2.gz MSQKSPDXGQDDES-LBPRGKRZSA-N 1 2 406.408 4.089 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)CC2 ZINC000474899417 889759411 /nfs/dbraw/zinc/75/94/11/889759411.db2.gz MSQKSPDXGQDDES-LBPRGKRZSA-N 1 2 406.408 4.089 20 30 HIEDLO COc1cccc([C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2cc(F)ccc2OC)c1 ZINC000475180386 890051161 /nfs/dbraw/zinc/05/11/61/890051161.db2.gz YKNZMUHZWAYRRJ-DEOSSOPVSA-N 1 2 419.456 4.032 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000475777062 890719369 /nfs/dbraw/zinc/71/93/69/890719369.db2.gz WODUHGRYYWTZIZ-INIZCTEOSA-N 1 2 408.330 4.023 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000476655555 891599754 /nfs/dbraw/zinc/59/97/54/891599754.db2.gz HCLOXQJDPIXAPT-TZIWHRDSSA-N 1 2 415.459 4.470 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000476655555 891599768 /nfs/dbraw/zinc/59/97/68/891599768.db2.gz HCLOXQJDPIXAPT-TZIWHRDSSA-N 1 2 415.459 4.470 20 30 HIEDLO C=C(C)[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)c(F)c1 ZINC000476869254 891832057 /nfs/dbraw/zinc/83/20/57/891832057.db2.gz LBHFMUKOYTZSCY-HXUWFJFHSA-N 1 2 400.404 4.406 20 30 HIEDLO C=C(C)[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000476869744 891832711 /nfs/dbraw/zinc/83/27/11/891832711.db2.gz RRMVYTBIABYPPJ-QFIPXVFZSA-N 1 2 410.468 4.369 20 30 HIEDLO Cc1nc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)oc1-c1ccc(Cl)cc1 ZINC000477163118 892085149 /nfs/dbraw/zinc/08/51/49/892085149.db2.gz MNKFUFIDHJRBMK-MRXNPFEDSA-N 1 2 407.905 4.453 20 30 HIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000478168446 893335687 /nfs/dbraw/zinc/33/56/87/893335687.db2.gz COIAPRRPZCKNJN-UHFFFAOYSA-N 1 2 420.561 4.039 20 30 HIEDLO N#Cc1c(C#N)c2c(nc1NCc1cc[nH+]c(N3CCCCC3)c1)CCCCCC2 ZINC000479363695 894662040 /nfs/dbraw/zinc/66/20/40/894662040.db2.gz GUEXRVPVSRWWIB-UHFFFAOYSA-N 1 2 400.530 4.481 20 30 HIEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)c1 ZINC000479501387 894818515 /nfs/dbraw/zinc/81/85/15/894818515.db2.gz KMKFSIIRUIWIFU-UHFFFAOYSA-N 1 2 410.930 4.226 20 30 HIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479770478 895071082 /nfs/dbraw/zinc/07/10/82/895071082.db2.gz DYMWEIDTLKVFHB-YADHBBJMSA-N 1 2 412.484 4.203 20 30 HIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479770478 895071094 /nfs/dbraw/zinc/07/10/94/895071094.db2.gz DYMWEIDTLKVFHB-YADHBBJMSA-N 1 2 412.484 4.203 20 30 HIEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000479918576 895267137 /nfs/dbraw/zinc/26/71/37/895267137.db2.gz XYUILMFTYXZXLC-NRFANRHFSA-N 1 2 421.566 4.036 20 30 HIEDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)cc1Br ZINC000480747351 896109169 /nfs/dbraw/zinc/10/91/69/896109169.db2.gz IRXRMUGNZKYYOG-UHFFFAOYSA-N 1 2 400.320 4.045 20 30 HIEDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)cc1Br ZINC000480747351 896109175 /nfs/dbraw/zinc/10/91/75/896109175.db2.gz IRXRMUGNZKYYOG-UHFFFAOYSA-N 1 2 400.320 4.045 20 30 HIEDLO C[N@H+](Cc1ccc(C#N)cc1Br)[C@H](CO)c1cccc(Br)c1 ZINC000481090672 896412046 /nfs/dbraw/zinc/41/20/46/896412046.db2.gz JNQKRQRGJYQZDV-QGZVFWFLSA-N 1 2 424.136 4.249 20 30 HIEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@H](CO)c1cccc(Br)c1 ZINC000481090672 896412057 /nfs/dbraw/zinc/41/20/57/896412057.db2.gz JNQKRQRGJYQZDV-QGZVFWFLSA-N 1 2 424.136 4.249 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481705951 897095032 /nfs/dbraw/zinc/09/50/32/897095032.db2.gz WWWOBTSYEHMCHI-KOSHJBKYSA-N 1 2 421.566 4.398 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481705951 897095047 /nfs/dbraw/zinc/09/50/47/897095047.db2.gz WWWOBTSYEHMCHI-KOSHJBKYSA-N 1 2 421.566 4.398 20 30 HIEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)c2)cc1 ZINC000505467027 914140003 /nfs/dbraw/zinc/14/00/03/914140003.db2.gz CZEJNJBFXOAVQF-HSZRJFAPSA-N 1 2 401.441 4.276 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000505470167 914144855 /nfs/dbraw/zinc/14/48/55/914144855.db2.gz YBDLXBXHPVSQCH-DEOSSOPVSA-N 1 2 415.468 4.063 20 30 HIEDLO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)o2)cc1 ZINC000481982357 897376015 /nfs/dbraw/zinc/37/60/15/897376015.db2.gz FNYFIALWHUVWCO-QHCPKHFHSA-N 1 2 402.450 4.178 20 30 HIEDLO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)o2)cc1 ZINC000481982357 897376032 /nfs/dbraw/zinc/37/60/32/897376032.db2.gz FNYFIALWHUVWCO-QHCPKHFHSA-N 1 2 402.450 4.178 20 30 HIEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)c1 ZINC000505578418 914284744 /nfs/dbraw/zinc/28/47/44/914284744.db2.gz HITGSIPSGQEJMG-NRFANRHFSA-N 1 2 418.884 4.186 20 30 HIEDLO Cn1cc(C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C#N ZINC000483170563 898837791 /nfs/dbraw/zinc/83/77/91/898837791.db2.gz GOQQZWDKVMBGTQ-UHFFFAOYSA-N 1 2 406.480 4.082 20 30 HIEDLO Cn1cc(CN2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C#N ZINC000483170563 898837796 /nfs/dbraw/zinc/83/77/96/898837796.db2.gz GOQQZWDKVMBGTQ-UHFFFAOYSA-N 1 2 406.480 4.082 20 30 HIEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000483261342 898901814 /nfs/dbraw/zinc/90/18/14/898901814.db2.gz RVBDTYUHRDOFJL-IBGZPJMESA-N 1 2 400.482 4.179 20 30 HIEDLO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000484504429 899994855 /nfs/dbraw/zinc/99/48/55/899994855.db2.gz QNPIQJRSFYVLDM-OAHLLOKOSA-N 1 2 423.542 4.040 20 30 HIEDLO Cn1c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc2ccc(Br)cc21 ZINC000485794225 901045804 /nfs/dbraw/zinc/04/58/04/901045804.db2.gz DBCADIMTEUPCFT-UHFFFAOYSA-N 1 2 407.315 4.497 20 30 HIEDLO Cn1c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc2ccc(Br)cc21 ZINC000485794225 901045812 /nfs/dbraw/zinc/04/58/12/901045812.db2.gz DBCADIMTEUPCFT-UHFFFAOYSA-N 1 2 407.315 4.497 20 30 HIEDLO Cc1cccc([C@@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)[NH+]2CCOCC2)c1 ZINC000488241850 902716690 /nfs/dbraw/zinc/71/66/90/902716690.db2.gz MHPYOMWRRHKHAI-OAQYLSRUSA-N 1 2 408.452 4.179 20 30 HIEDLO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488530824 902871697 /nfs/dbraw/zinc/87/16/97/902871697.db2.gz SIOXLITVZSYNKM-VWLOTQADSA-N 1 2 421.504 4.069 20 30 HIEDLO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488530824 902871699 /nfs/dbraw/zinc/87/16/99/902871699.db2.gz SIOXLITVZSYNKM-VWLOTQADSA-N 1 2 421.504 4.069 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC000490070108 903758917 /nfs/dbraw/zinc/75/89/17/903758917.db2.gz WHAAEWVAVJDGEQ-UHFFFAOYSA-N 1 2 406.486 4.123 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC000490070108 903758923 /nfs/dbraw/zinc/75/89/23/903758923.db2.gz WHAAEWVAVJDGEQ-UHFFFAOYSA-N 1 2 406.486 4.123 20 30 HIEDLO Cn1cc(C[N@@H+]2CCc3c(Br)cccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000490439595 904012272 /nfs/dbraw/zinc/01/22/72/904012272.db2.gz XENXIDOCABOLHL-UHFFFAOYSA-N 1 2 407.315 4.280 20 30 HIEDLO Cn1cc(C[N@H+]2CCc3c(Br)cccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000490439595 904012281 /nfs/dbraw/zinc/01/22/81/904012281.db2.gz XENXIDOCABOLHL-UHFFFAOYSA-N 1 2 407.315 4.280 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490798317 904246044 /nfs/dbraw/zinc/24/60/44/904246044.db2.gz YENDBUBVMQQJAO-INIZCTEOSA-N 1 2 424.526 4.450 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490798317 904246055 /nfs/dbraw/zinc/24/60/55/904246055.db2.gz YENDBUBVMQQJAO-INIZCTEOSA-N 1 2 424.526 4.450 20 30 HIEDLO COc1ccc(C(=O)C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)cc1 ZINC000492461763 904852924 /nfs/dbraw/zinc/85/29/24/904852924.db2.gz LBTUQAPPSIDNGG-UHFFFAOYSA-N 1 2 413.315 4.424 20 30 HIEDLO C=CC[N@H+](Cc1cc(C#N)ccc1Br)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000492465885 904854210 /nfs/dbraw/zinc/85/42/10/904854210.db2.gz WWIUEMLXDPLOHV-OAHLLOKOSA-N 1 2 423.318 4.046 20 30 HIEDLO C=CC[N@@H+](Cc1cc(C#N)ccc1Br)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000492465885 904854212 /nfs/dbraw/zinc/85/42/12/904854212.db2.gz WWIUEMLXDPLOHV-OAHLLOKOSA-N 1 2 423.318 4.046 20 30 HIEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)c(F)c2)c(C#N)c1C ZINC000494266720 905590251 /nfs/dbraw/zinc/59/02/51/905590251.db2.gz AKXBPPAEJVZGTD-LLVKDONJSA-N 1 2 408.271 4.129 20 30 HIEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)c(F)c2)c(C#N)c1C ZINC000494266720 905590271 /nfs/dbraw/zinc/59/02/71/905590271.db2.gz AKXBPPAEJVZGTD-LLVKDONJSA-N 1 2 408.271 4.129 20 30 HIEDLO Cc1ccc(C[C@H](C#N)Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC000494378129 905676213 /nfs/dbraw/zinc/67/62/13/905676213.db2.gz JXEBMCDMMPYNAI-OAQYLSRUSA-N 1 2 403.555 4.399 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000512506528 921205985 /nfs/dbraw/zinc/20/59/85/921205985.db2.gz MZOIWCPJVPHTDR-MRXNPFEDSA-N 1 2 406.477 4.471 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000512506528 921205991 /nfs/dbraw/zinc/20/59/91/921205991.db2.gz MZOIWCPJVPHTDR-MRXNPFEDSA-N 1 2 406.477 4.471 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000497733667 907229989 /nfs/dbraw/zinc/22/99/89/907229989.db2.gz IBNYKKUUPJZRPX-UHFFFAOYSA-N 1 2 422.488 4.312 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)c(F)c1 ZINC000512816728 921321683 /nfs/dbraw/zinc/32/16/83/921321683.db2.gz JAGHXJUCWSVSPG-UHFFFAOYSA-N 1 2 412.852 4.444 20 30 HIEDLO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512842981 921345998 /nfs/dbraw/zinc/34/59/98/921345998.db2.gz DMWIGXZWGLDTQD-OAHLLOKOSA-N 1 2 413.518 4.290 20 30 HIEDLO C=CCn1c(SCCCn2cc[nH+]c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000499470462 908808818 /nfs/dbraw/zinc/80/88/18/908808818.db2.gz NQLLVKFCCHUSKF-AWEZNQCLSA-N 1 2 400.573 4.148 20 30 HIEDLO N#CC1(NC(=O)C[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)CCCCC1 ZINC000499939477 909047177 /nfs/dbraw/zinc/04/71/77/909047177.db2.gz PKXLGWQSBJCSSI-UHFFFAOYSA-N 1 2 411.443 4.309 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000500165984 909650673 /nfs/dbraw/zinc/65/06/73/909650673.db2.gz HWPKRSGFAAMVHA-UHFFFAOYSA-N 1 2 402.542 4.112 20 30 HIEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(C#Cc4ccccn4)c3)cn2c1 ZINC000513114114 921560242 /nfs/dbraw/zinc/56/02/42/921560242.db2.gz XCGZLAOUQFOGSB-UHFFFAOYSA-N 1 2 412.518 4.309 20 30 HIEDLO C=CCc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000501474529 910590101 /nfs/dbraw/zinc/59/01/01/910590101.db2.gz HYXJJFJEKHGISL-ROUUACIJSA-N 1 2 424.541 4.294 20 30 HIEDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Br)cc1 ZINC000513161064 921593072 /nfs/dbraw/zinc/59/30/72/921593072.db2.gz RNVZODUQNHBNLT-IBGZPJMESA-N 1 2 405.267 4.028 20 30 HIEDLO COC(=O)C[C@](C)([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(F)c1 ZINC000513174259 921600621 /nfs/dbraw/zinc/60/06/21/921600621.db2.gz QRBRMQHXLTVUSH-IBGZPJMESA-N 1 2 405.267 4.028 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)c2c(F)cncc2F)c1C#N ZINC000513258726 921662882 /nfs/dbraw/zinc/66/28/82/921662882.db2.gz YIEAJGKRFHWMOH-AWEZNQCLSA-N 1 2 415.488 4.444 20 30 HIEDLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)nn1-c1cccc(C#N)c1 ZINC000503041458 912010643 /nfs/dbraw/zinc/01/06/43/912010643.db2.gz ZHUZVKUPVCCMAL-UHFFFAOYSA-N 1 2 402.845 4.144 20 30 HIEDLO COc1ccc(C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC2CC2)c(OC)c1 ZINC000503220431 912203173 /nfs/dbraw/zinc/20/31/73/912203173.db2.gz VCIXOOVTIBIFMF-UHFFFAOYSA-N 1 2 413.543 4.105 20 30 HIEDLO COc1ccc(C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC2CC2)c(OC)c1 ZINC000503220431 912203194 /nfs/dbraw/zinc/20/31/94/912203194.db2.gz VCIXOOVTIBIFMF-UHFFFAOYSA-N 1 2 413.543 4.105 20 30 HIEDLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cnc2ccc(C#N)cn12 ZINC000506768159 915477412 /nfs/dbraw/zinc/47/74/12/915477412.db2.gz SAXRCSKNZZOXPV-UHFFFAOYSA-N 1 2 416.312 4.363 20 30 HIEDLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cnc2ccc(C#N)cn12 ZINC000506768159 915477427 /nfs/dbraw/zinc/47/74/27/915477427.db2.gz SAXRCSKNZZOXPV-UHFFFAOYSA-N 1 2 416.312 4.363 20 30 HIEDLO C=C(C)COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2SC)ccc1OC ZINC000506791524 915523815 /nfs/dbraw/zinc/52/38/15/915523815.db2.gz VYDYXDARVVLZAC-UHFFFAOYSA-N 1 2 400.544 4.443 20 30 HIEDLO C=C(C)COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)ccc1OC ZINC000506791524 915523836 /nfs/dbraw/zinc/52/38/36/915523836.db2.gz VYDYXDARVVLZAC-UHFFFAOYSA-N 1 2 400.544 4.443 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507802490 916586815 /nfs/dbraw/zinc/58/68/15/916586815.db2.gz VPVDJBDQYYZIAX-HNNXBMFYSA-N 1 2 415.440 4.030 20 30 HIEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507848527 916669457 /nfs/dbraw/zinc/66/94/57/916669457.db2.gz PBXTVLGOFNRQGG-HNNXBMFYSA-N 1 2 406.511 4.038 20 30 HIEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000508354229 917156204 /nfs/dbraw/zinc/15/62/04/917156204.db2.gz HHIBAZWCETVNFF-UHFFFAOYSA-N 1 2 413.886 4.011 20 30 HIEDLO C=CCSCCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000508370194 917171576 /nfs/dbraw/zinc/17/15/76/917171576.db2.gz NAWRVAMLURQYIC-UHFFFAOYSA-N 1 2 406.555 4.317 20 30 HIEDLO N#CCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000510023807 918600014 /nfs/dbraw/zinc/60/00/14/918600014.db2.gz OYGRKKCLZKSXNQ-UHFFFAOYSA-N 1 2 407.490 4.250 20 30 HIEDLO CCN(C(=O)c1cccc(C#N)c1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000510043675 918615399 /nfs/dbraw/zinc/61/53/99/918615399.db2.gz YBNYMCUWEMKLDZ-UHFFFAOYSA-N 1 2 405.546 4.220 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC([C@@H](F)c3ccccc3F)CC2)C1=O ZINC000511110994 919723101 /nfs/dbraw/zinc/72/31/01/919723101.db2.gz WRDWWSSVANOUOK-RTBURBONSA-N 1 2 401.482 4.287 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000511126375 919739480 /nfs/dbraw/zinc/73/94/80/919739480.db2.gz PSHRASHMDPARBQ-SFHVURJKSA-N 1 2 422.472 4.230 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000511126375 919739493 /nfs/dbraw/zinc/73/94/93/919739493.db2.gz PSHRASHMDPARBQ-SFHVURJKSA-N 1 2 422.472 4.230 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000512218488 920967790 /nfs/dbraw/zinc/96/77/90/920967790.db2.gz KGUCRJYJQARYMA-FQEVSTJZSA-N 1 2 418.537 4.444 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000512218488 920967803 /nfs/dbraw/zinc/96/78/03/920967803.db2.gz KGUCRJYJQARYMA-FQEVSTJZSA-N 1 2 418.537 4.444 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 ZINC000513750840 922071416 /nfs/dbraw/zinc/07/14/16/922071416.db2.gz QDHJEHQQNRIXHW-UHFFFAOYSA-N 1 2 403.385 4.111 20 30 HIEDLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000514222027 922557144 /nfs/dbraw/zinc/55/71/44/922557144.db2.gz HVCSEJYYIMRTFF-UHFFFAOYSA-N 1 2 419.475 4.497 20 30 HIEDLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000514222027 922557155 /nfs/dbraw/zinc/55/71/55/922557155.db2.gz HVCSEJYYIMRTFF-UHFFFAOYSA-N 1 2 419.475 4.497 20 30 HIEDLO CSc1nc(C2CC2)cc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)c1C#N ZINC000514632373 922735336 /nfs/dbraw/zinc/73/53/36/922735336.db2.gz WKFURLUXBFWAEI-UHFFFAOYSA-N 1 2 402.483 4.150 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CC[C@](F)(c3ccccc3F)C2)sc2c1CCC2 ZINC000515073878 922895391 /nfs/dbraw/zinc/89/53/91/922895391.db2.gz KUPYAAHZMCTBKY-OAQYLSRUSA-N 1 2 401.482 4.147 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@](F)(c3ccccc3F)C2)sc2c1CCC2 ZINC000515073878 922895396 /nfs/dbraw/zinc/89/53/96/922895396.db2.gz KUPYAAHZMCTBKY-OAQYLSRUSA-N 1 2 401.482 4.147 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCOc3cccc4ccccc43)CC2)cc1 ZINC000515126041 922939397 /nfs/dbraw/zinc/93/93/97/922939397.db2.gz RSTXKTCWQAFVHQ-UHFFFAOYSA-N 1 2 413.521 4.215 20 30 HIEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)c2)c1 ZINC000516984346 923953179 /nfs/dbraw/zinc/95/31/79/923953179.db2.gz JZYQDGZEDFANAL-UHFFFAOYSA-N 1 2 421.460 4.308 20 30 HIEDLO N#Cc1ccc(Oc2cccc(NC(=O)NCCc3cn4c([nH+]3)CCCC4)c2)cc1 ZINC000517131445 924015827 /nfs/dbraw/zinc/01/58/27/924015827.db2.gz DFKLJDVTPJNKIH-UHFFFAOYSA-N 1 2 401.470 4.248 20 30 HIEDLO C=CC1CCN(C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000518910545 927620526 /nfs/dbraw/zinc/62/05/26/927620526.db2.gz HRINQBRDZISNHP-UHFFFAOYSA-N 1 2 424.976 4.095 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(C(F)(F)F)c1 ZINC000521702573 929377172 /nfs/dbraw/zinc/37/71/72/929377172.db2.gz QRVUSFKODUSGSA-KRWDZBQOSA-N 1 2 406.383 4.112 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(C(F)(F)F)c1 ZINC000521702573 929377186 /nfs/dbraw/zinc/37/71/86/929377186.db2.gz QRVUSFKODUSGSA-KRWDZBQOSA-N 1 2 406.383 4.112 20 30 HIEDLO N#Cc1cccc(CC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000530674942 930795361 /nfs/dbraw/zinc/79/53/61/930795361.db2.gz JCVSJFLBFWVLEQ-UHFFFAOYSA-N 1 2 406.489 4.329 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000530966060 930870093 /nfs/dbraw/zinc/87/00/93/930870093.db2.gz DNAWORXKQLQOHM-GJZGRUSLSA-N 1 2 403.885 4.474 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532648715 931566957 /nfs/dbraw/zinc/56/69/57/931566957.db2.gz ACSSGWSFTNFNPJ-QGZVFWFLSA-N 1 2 404.576 4.347 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532648715 931566961 /nfs/dbraw/zinc/56/69/61/931566961.db2.gz ACSSGWSFTNFNPJ-QGZVFWFLSA-N 1 2 404.576 4.347 20 30 HIEDLO COCC[N@H+](Cc1csc(-c2ccc(OC)c(OC)c2)n1)Cc1ccc(C#N)cc1 ZINC000532944623 931706998 /nfs/dbraw/zinc/70/69/98/931706998.db2.gz KDOWVCIYFGKDCG-UHFFFAOYSA-N 1 2 423.538 4.348 20 30 HIEDLO COCC[N@@H+](Cc1csc(-c2ccc(OC)c(OC)c2)n1)Cc1ccc(C#N)cc1 ZINC000532944623 931707002 /nfs/dbraw/zinc/70/70/02/931707002.db2.gz KDOWVCIYFGKDCG-UHFFFAOYSA-N 1 2 423.538 4.348 20 30 HIEDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C2 ZINC000532949848 931708238 /nfs/dbraw/zinc/70/82/38/931708238.db2.gz YOJOSIFLXJZLDI-QGZVFWFLSA-N 1 2 409.555 4.334 20 30 HIEDLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C2 ZINC000532949848 931708244 /nfs/dbraw/zinc/70/82/44/931708244.db2.gz YOJOSIFLXJZLDI-QGZVFWFLSA-N 1 2 409.555 4.334 20 30 HIEDLO COc1ccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1C#N ZINC000533331834 931840559 /nfs/dbraw/zinc/84/05/59/931840559.db2.gz RCDCFLFLOPWYQL-UHFFFAOYSA-N 1 2 419.554 4.095 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000533350560 931846135 /nfs/dbraw/zinc/84/61/35/931846135.db2.gz DAVSTCGYYMRGGB-JOCHJYFZSA-N 1 2 417.513 4.078 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000533350560 931846137 /nfs/dbraw/zinc/84/61/37/931846137.db2.gz DAVSTCGYYMRGGB-JOCHJYFZSA-N 1 2 417.513 4.078 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c1C#N ZINC000534204761 932329483 /nfs/dbraw/zinc/32/94/83/932329483.db2.gz PJNRAWFJVCRHEI-HSZRJFAPSA-N 1 2 413.525 4.196 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)c1C#N ZINC000534204761 932329490 /nfs/dbraw/zinc/32/94/90/932329490.db2.gz PJNRAWFJVCRHEI-HSZRJFAPSA-N 1 2 413.525 4.196 20 30 HIEDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000535213938 933019384 /nfs/dbraw/zinc/01/93/84/933019384.db2.gz AYPIDZSIBLOCLD-FQEVSTJZSA-N 1 2 417.553 4.242 20 30 HIEDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000535213938 933019389 /nfs/dbraw/zinc/01/93/89/933019389.db2.gz AYPIDZSIBLOCLD-FQEVSTJZSA-N 1 2 417.553 4.242 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000535667607 933313684 /nfs/dbraw/zinc/31/36/84/933313684.db2.gz GUBLFSDUOWPLHX-LJQANCHMSA-N 1 2 401.514 4.051 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000535667607 933313700 /nfs/dbraw/zinc/31/37/00/933313700.db2.gz GUBLFSDUOWPLHX-LJQANCHMSA-N 1 2 401.514 4.051 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000535667652 933314077 /nfs/dbraw/zinc/31/40/77/933314077.db2.gz MEHBCIKSOLNBEP-LJQANCHMSA-N 1 2 401.514 4.051 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000535667652 933314087 /nfs/dbraw/zinc/31/40/87/933314087.db2.gz MEHBCIKSOLNBEP-LJQANCHMSA-N 1 2 401.514 4.051 20 30 HIEDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000538243931 938572056 /nfs/dbraw/zinc/57/20/56/938572056.db2.gz XWRRZTVOXIXFPN-CABCVRRESA-N 1 2 401.507 4.375 20 30 HIEDLO COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000538365734 938604721 /nfs/dbraw/zinc/60/47/21/938604721.db2.gz ZZRKSVXBBAESNM-LJQANCHMSA-N 1 2 400.463 4.494 20 30 HIEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(OCc2ccccn2)c1 ZINC000539252144 938826503 /nfs/dbraw/zinc/82/65/03/938826503.db2.gz BDXPYCKETPTOII-QGZVFWFLSA-N 1 2 411.465 4.433 20 30 HIEDLO C=CCc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc(OC)c1OC ZINC000539374466 938850949 /nfs/dbraw/zinc/85/09/49/938850949.db2.gz XISRNDUOHMURHP-KRWDZBQOSA-N 1 2 412.505 4.090 20 30 HIEDLO C=CCc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc(OC)c1OC ZINC000539374467 938851010 /nfs/dbraw/zinc/85/10/10/938851010.db2.gz XISRNDUOHMURHP-QGZVFWFLSA-N 1 2 412.505 4.090 20 30 HIEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc1OC ZINC000539829845 938949993 /nfs/dbraw/zinc/94/99/93/938949993.db2.gz VIEZVJOEIJZBNS-FQEVSTJZSA-N 1 2 410.514 4.180 20 30 HIEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc1OC ZINC000539829845 938949996 /nfs/dbraw/zinc/94/99/96/938949996.db2.gz VIEZVJOEIJZBNS-FQEVSTJZSA-N 1 2 410.514 4.180 20 30 HIEDLO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541018464 939431767 /nfs/dbraw/zinc/43/17/67/939431767.db2.gz DPWLSZIKGOMCBV-UHFFFAOYSA-N 1 2 411.527 4.156 20 30 HIEDLO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1nccs1 ZINC000541595773 939562405 /nfs/dbraw/zinc/56/24/05/939562405.db2.gz VNZQHRMGPLQRCG-GOSISDBHSA-N 1 2 411.506 4.241 20 30 HIEDLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000541642688 939583909 /nfs/dbraw/zinc/58/39/09/939583909.db2.gz OYPKAJHROWQECQ-IAGOWNOFSA-N 1 2 406.461 4.467 20 30 HIEDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)n1 ZINC000541652513 939588388 /nfs/dbraw/zinc/58/83/88/939588388.db2.gz TXUSDLJNIFMDQR-AWEZNQCLSA-N 1 2 411.506 4.159 20 30 HIEDLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542038041 939695448 /nfs/dbraw/zinc/69/54/48/939695448.db2.gz TURNOHRWKYWDRQ-AZUAARDMSA-N 1 2 413.525 4.397 20 30 HIEDLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542038041 939695449 /nfs/dbraw/zinc/69/54/49/939695449.db2.gz TURNOHRWKYWDRQ-AZUAARDMSA-N 1 2 413.525 4.397 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000542568128 939844795 /nfs/dbraw/zinc/84/47/95/939844795.db2.gz FKIGTYHUAQFMKH-GOSISDBHSA-N 1 2 418.497 4.338 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@@H](C)c2nc(C)cs2)cc1 ZINC000543510984 940089928 /nfs/dbraw/zinc/08/99/28/940089928.db2.gz ZOASMWMWIYTQLZ-HNNXBMFYSA-N 1 2 423.542 4.029 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@H]2/C=C\c2cccs2)cc1 ZINC000543987827 940283884 /nfs/dbraw/zinc/28/38/84/940283884.db2.gz JWWHPNVBVSAJPK-VJIACCKLSA-N 1 2 400.569 4.351 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCCC[C@H]2/C=C\c2cccs2)cc1 ZINC000543987827 940283892 /nfs/dbraw/zinc/28/38/92/940283892.db2.gz JWWHPNVBVSAJPK-VJIACCKLSA-N 1 2 400.569 4.351 20 30 HIEDLO COc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(Br)c1O ZINC000545550045 940574397 /nfs/dbraw/zinc/57/43/97/940574397.db2.gz UOIXPUPPQAGXDY-UHFFFAOYSA-N 1 2 417.303 4.078 20 30 HIEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000547978612 941081710 /nfs/dbraw/zinc/08/17/10/941081710.db2.gz DZAWZORHCFYZFV-AOMKIAJQSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000547978612 941081712 /nfs/dbraw/zinc/08/17/12/941081712.db2.gz DZAWZORHCFYZFV-AOMKIAJQSA-N 1 2 410.949 4.288 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)c1 ZINC000549396798 941185749 /nfs/dbraw/zinc/18/57/49/941185749.db2.gz FPEFZKBGOWKOKX-UHFFFAOYSA-N 1 2 420.987 4.242 20 30 HIEDLO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000549665708 941203582 /nfs/dbraw/zinc/20/35/82/941203582.db2.gz TTZDGWFXUATERM-UHFFFAOYSA-N 1 2 403.939 4.151 20 30 HIEDLO COc1cccc(C2([NH2+]Cc3ccc(Br)cc3C#N)CCOCC2)c1F ZINC000553912827 941996975 /nfs/dbraw/zinc/99/69/75/941996975.db2.gz KKVVZEPXQIGZHN-UHFFFAOYSA-N 1 2 419.294 4.264 20 30 HIEDLO C=C(C)[C@@H](CC(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OCC ZINC000555576421 942649890 /nfs/dbraw/zinc/64/98/90/942649890.db2.gz IPSAMTZZIZEYBO-HXUWFJFHSA-N 1 2 402.583 4.097 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)C2 ZINC000558585957 943609174 /nfs/dbraw/zinc/60/91/74/943609174.db2.gz AIAHTNJLWKDZRC-HNNXBMFYSA-N 1 2 401.470 4.336 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)CC2 ZINC000558585957 943609181 /nfs/dbraw/zinc/60/91/81/943609181.db2.gz AIAHTNJLWKDZRC-HNNXBMFYSA-N 1 2 401.470 4.336 20 30 HIEDLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000558629081 943621213 /nfs/dbraw/zinc/62/12/13/943621213.db2.gz PVLBQQISYXZBTJ-HXUWFJFHSA-N 1 2 404.558 4.015 20 30 HIEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)CC2 ZINC000559476897 943972011 /nfs/dbraw/zinc/97/20/11/943972011.db2.gz YETJRFJLGNCHNI-HXUWFJFHSA-N 1 2 410.315 4.047 20 30 HIEDLO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000564439240 945588678 /nfs/dbraw/zinc/58/86/78/945588678.db2.gz QXELNAZVHLDWIP-IERDGZPVSA-N 1 2 402.458 4.057 20 30 HIEDLO N#Cc1cc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1OC(F)(F)F ZINC000565626818 945857674 /nfs/dbraw/zinc/85/76/74/945857674.db2.gz ROKKOSWKYZMNNR-UHFFFAOYSA-N 1 2 415.375 4.023 20 30 HIEDLO CC[C@H](C#N)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000436054370 861340957 /nfs/dbraw/zinc/34/09/57/861340957.db2.gz VIBGYMAFLMVTRI-MRXNPFEDSA-N 1 2 407.490 4.249 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781380 846619298 /nfs/dbraw/zinc/61/92/98/846619298.db2.gz XSPHGESTSXATBO-OAQYLSRUSA-N 1 2 424.548 4.370 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000024856072 846877583 /nfs/dbraw/zinc/87/75/83/846877583.db2.gz DUKBPYGORVCDIV-UHFFFAOYSA-N 1 2 409.555 4.254 20 30 HIEDLO CC(C)[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000025066549 846916620 /nfs/dbraw/zinc/91/66/20/846916620.db2.gz NPSVXKRCIXNQSZ-QFIPXVFZSA-N 1 2 410.949 4.436 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000028879290 847471525 /nfs/dbraw/zinc/47/15/25/847471525.db2.gz DRBNTVGCGBBJNW-UHFFFAOYSA-N 1 2 417.340 4.011 20 30 HIEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000046512045 848863808 /nfs/dbraw/zinc/86/38/08/848863808.db2.gz VUDNRKCDLHPNDW-UHFFFAOYSA-N 1 2 419.872 4.330 20 30 HIEDLO C[N@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)Cc1cccc(C#N)c1 ZINC000050959858 849423321 /nfs/dbraw/zinc/42/33/21/849423321.db2.gz MIAKJUWKJGNTHU-UHFFFAOYSA-N 1 2 402.523 4.316 20 30 HIEDLO C[N@@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)Cc1cccc(C#N)c1 ZINC000050959858 849423326 /nfs/dbraw/zinc/42/33/26/849423326.db2.gz MIAKJUWKJGNTHU-UHFFFAOYSA-N 1 2 402.523 4.316 20 30 HIEDLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000052801354 849628476 /nfs/dbraw/zinc/62/84/76/849628476.db2.gz NRKUURRSIWCOCO-GOSISDBHSA-N 1 2 410.949 4.368 20 30 HIEDLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000052801354 849628485 /nfs/dbraw/zinc/62/84/85/849628485.db2.gz NRKUURRSIWCOCO-GOSISDBHSA-N 1 2 410.949 4.368 20 30 HIEDLO CCOc1ccc(-c2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000057883169 850737814 /nfs/dbraw/zinc/73/78/14/850737814.db2.gz OALWGAFSPIDLED-UHFFFAOYSA-N 1 2 418.566 4.398 20 30 HIEDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000063808758 851769296 /nfs/dbraw/zinc/76/92/96/851769296.db2.gz DHXLQPXNCONEBZ-UHFFFAOYSA-N 1 2 410.949 4.017 20 30 HIEDLO COc1ccc(C#N)cc1NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000064743581 851974717 /nfs/dbraw/zinc/97/47/17/851974717.db2.gz ZCPWRRYWKLIVAQ-GOSISDBHSA-N 1 2 416.884 4.318 20 30 HIEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000437156396 862349773 /nfs/dbraw/zinc/34/97/73/862349773.db2.gz OVUCPGKXPDNGIH-QGZVFWFLSA-N 1 2 405.832 4.050 20 30 HIEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000437156396 862349790 /nfs/dbraw/zinc/34/97/90/862349790.db2.gz OVUCPGKXPDNGIH-QGZVFWFLSA-N 1 2 405.832 4.050 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c2ccccc21 ZINC000096966506 852564299 /nfs/dbraw/zinc/56/42/99/852564299.db2.gz GKPVMNAEWGJVMQ-GOSISDBHSA-N 1 2 407.539 4.480 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c2ccccc21 ZINC000096966506 852564309 /nfs/dbraw/zinc/56/43/09/852564309.db2.gz GKPVMNAEWGJVMQ-GOSISDBHSA-N 1 2 407.539 4.480 20 30 HIEDLO C=CC[N@@H+](Cc1cnc2c(c1)c(C)nn2C)Cc1cc(Br)ccc1F ZINC000261378663 854239263 /nfs/dbraw/zinc/23/92/63/854239263.db2.gz AOXZQEWNHRWPFK-UHFFFAOYSA-N 1 2 403.299 4.367 20 30 HIEDLO C=CC[N@H+](Cc1cnc2c(c1)c(C)nn2C)Cc1cc(Br)ccc1F ZINC000261378663 854239272 /nfs/dbraw/zinc/23/92/72/854239272.db2.gz AOXZQEWNHRWPFK-UHFFFAOYSA-N 1 2 403.299 4.367 20 30 HIEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 ZINC000261414317 854253340 /nfs/dbraw/zinc/25/33/40/854253340.db2.gz FDQGBOSDDQZFIT-IBGZPJMESA-N 1 2 410.930 4.227 20 30 HIEDLO C[C@@H](c1nnc(Sc2snc(Cl)c2C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301940068 854499191 /nfs/dbraw/zinc/49/91/91/854499191.db2.gz YVGZWIVCAFHCSX-VIFPVBQESA-N 1 2 408.915 4.162 20 30 HIEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000303504118 854992796 /nfs/dbraw/zinc/99/27/96/854992796.db2.gz BBCMLJKQHAALJT-KRWDZBQOSA-N 1 2 407.543 4.368 20 30 HIEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000303504118 854992806 /nfs/dbraw/zinc/99/28/06/854992806.db2.gz BBCMLJKQHAALJT-KRWDZBQOSA-N 1 2 407.543 4.368 20 30 HIEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000303689140 855134876 /nfs/dbraw/zinc/13/48/76/855134876.db2.gz LLDXMCDLLFZKLC-MRXNPFEDSA-N 1 2 407.905 4.140 20 30 HIEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c(C#N)c1C ZINC000426374772 856264311 /nfs/dbraw/zinc/26/43/11/856264311.db2.gz YMUIIDKDBRDPMR-OAQYLSRUSA-N 1 2 418.522 4.145 20 30 HIEDLO COC(=O)C[C@](C)([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)cc1 ZINC000428944490 857429144 /nfs/dbraw/zinc/42/91/44/857429144.db2.gz TURBRYWGOIEBRN-IBGZPJMESA-N 1 2 405.267 4.028 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)Cc2cn3c([nH+]2)CCCC3)c1C#N ZINC000429530515 857723578 /nfs/dbraw/zinc/72/35/78/857723578.db2.gz PSMZPZPSMGLNCY-UHFFFAOYSA-N 1 2 422.577 4.085 20 30 HIEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(Br)c1)Cc1ccc(C#N)cc1 ZINC000430041760 858008207 /nfs/dbraw/zinc/00/82/07/858008207.db2.gz WRZSSFNTJPSAGA-UHFFFAOYSA-N 1 2 421.360 4.005 20 30 HIEDLO CC(C)[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)Cc1ccc(C#N)cc1 ZINC000430041760 858008213 /nfs/dbraw/zinc/00/82/13/858008213.db2.gz WRZSSFNTJPSAGA-UHFFFAOYSA-N 1 2 421.360 4.005 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000430999515 858399471 /nfs/dbraw/zinc/39/94/71/858399471.db2.gz LGPFWVSSVRLWHH-LJQANCHMSA-N 1 2 409.555 4.349 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000430999515 858399479 /nfs/dbraw/zinc/39/94/79/858399479.db2.gz LGPFWVSSVRLWHH-LJQANCHMSA-N 1 2 409.555 4.349 20 30 HIEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC#Cc2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000433471327 859718449 /nfs/dbraw/zinc/71/84/49/859718449.db2.gz NVBDSHHFWPXBJY-QHCPKHFHSA-N 1 2 411.473 4.099 20 30 HIEDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434836453 860514695 /nfs/dbraw/zinc/51/46/95/860514695.db2.gz NINPYVYKTUNRMT-NRFANRHFSA-N 1 2 402.523 4.304 20 30 HIEDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434836453 860514699 /nfs/dbraw/zinc/51/46/99/860514699.db2.gz NINPYVYKTUNRMT-NRFANRHFSA-N 1 2 402.523 4.304 20 30 HIEDLO COCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000434903347 860546895 /nfs/dbraw/zinc/54/68/95/860546895.db2.gz IUCOXUODIHBQLQ-CQSZACIVSA-N 1 2 423.435 4.435 20 30 HIEDLO COCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000434903347 860546899 /nfs/dbraw/zinc/54/68/99/860546899.db2.gz IUCOXUODIHBQLQ-CQSZACIVSA-N 1 2 423.435 4.435 20 30 HIEDLO COc1ccc(C#N)cc1CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000435137502 860659376 /nfs/dbraw/zinc/65/93/76/860659376.db2.gz DPNXOXWDVINPBX-AWEZNQCLSA-N 1 2 411.506 4.202 20 30 HIEDLO N#CCC[C@@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000438865646 864358774 /nfs/dbraw/zinc/35/87/74/864358774.db2.gz RYAWDYFVPPVMHR-PGRDOPGGSA-N 1 2 412.484 4.273 20 30 HIEDLO N#CCC[C@@H](NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000438865646 864358790 /nfs/dbraw/zinc/35/87/90/864358790.db2.gz RYAWDYFVPPVMHR-PGRDOPGGSA-N 1 2 412.484 4.273 20 30 HIEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H](CCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000439301937 864729602 /nfs/dbraw/zinc/72/96/02/864729602.db2.gz AZMWISNXDPPNEY-KNKQGSTJSA-N 1 2 406.530 4.462 20 30 HIEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(C(=O)c4ccc(Cl)cc4)CC3)o2)c1 ZINC000441215169 866289109 /nfs/dbraw/zinc/28/91/09/866289109.db2.gz AMMVEJXEYWCKRU-UHFFFAOYSA-N 1 2 406.873 4.357 20 30 HIEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CSCc2ccc(C#N)cc2)c(C)c1 ZINC000441488663 866570962 /nfs/dbraw/zinc/57/09/62/866570962.db2.gz IQWIRFZQOKRFHX-JOCHJYFZSA-N 1 2 404.539 4.163 20 30 HIEDLO COc1cc(C[NH2+][C@@H](C)c2nc(-c3ccc(Br)cc3)no2)ccc1C#N ZINC000443069360 867809665 /nfs/dbraw/zinc/80/96/65/867809665.db2.gz NDDOXDGVEMBGBU-LBPRGKRZSA-N 1 2 413.275 4.230 20 30 HIEDLO CN(C(=O)C[N@H+](Cc1csc(Br)c1)C1CC1)C1(C#N)CCCCC1 ZINC000443642664 868228557 /nfs/dbraw/zinc/22/85/57/868228557.db2.gz OUSDHMIHIFSJPJ-UHFFFAOYSA-N 1 2 410.381 4.160 20 30 HIEDLO CN(C(=O)C[N@@H+](Cc1csc(Br)c1)C1CC1)C1(C#N)CCCCC1 ZINC000443642664 868228583 /nfs/dbraw/zinc/22/85/83/868228583.db2.gz OUSDHMIHIFSJPJ-UHFFFAOYSA-N 1 2 410.381 4.160 20 30 HIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443645000 868232728 /nfs/dbraw/zinc/23/27/28/868232728.db2.gz GZYPPCLFZKMTJE-CQSZACIVSA-N 1 2 412.852 4.310 20 30 HIEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443645000 868232735 /nfs/dbraw/zinc/23/27/35/868232735.db2.gz GZYPPCLFZKMTJE-CQSZACIVSA-N 1 2 412.852 4.310 20 30 HIEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000443858798 868391933 /nfs/dbraw/zinc/39/19/33/868391933.db2.gz RPWQHJUVABWLEG-KRWDZBQOSA-N 1 2 405.292 4.104 20 30 HIEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000443858798 868391952 /nfs/dbraw/zinc/39/19/52/868391952.db2.gz RPWQHJUVABWLEG-KRWDZBQOSA-N 1 2 405.292 4.104 20 30 HIEDLO N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1C(F)(F)F ZINC000443881186 868416054 /nfs/dbraw/zinc/41/60/54/868416054.db2.gz HDFJZBWHLVQKRO-GOSISDBHSA-N 1 2 405.445 4.306 20 30 HIEDLO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)o2)cc1C ZINC000468270786 882191292 /nfs/dbraw/zinc/19/12/92/882191292.db2.gz QFNKTLHHDATMLA-LJQANCHMSA-N 1 2 401.514 4.104 20 30 HIEDLO N#Cc1cc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)ccc1F ZINC000468281988 882206064 /nfs/dbraw/zinc/20/60/64/882206064.db2.gz OCTFBVJZIPHUQV-UHFFFAOYSA-N 1 2 403.457 4.385 20 30 HIEDLO N#Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)ccc1F ZINC000468281988 882206080 /nfs/dbraw/zinc/20/60/80/882206080.db2.gz OCTFBVJZIPHUQV-UHFFFAOYSA-N 1 2 403.457 4.385 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000444664117 868942140 /nfs/dbraw/zinc/94/21/40/868942140.db2.gz PYUWIFYKKBRCKJ-HXUWFJFHSA-N 1 2 400.482 4.298 20 30 HIEDLO Cc1cccc2nc(C3CC[NH+]([C@@H]4CCN(c5sccc5C#N)C4=O)CC3)oc21 ZINC000444768327 868993901 /nfs/dbraw/zinc/99/39/01/868993901.db2.gz WHHXMVCXWIRIMR-GOSISDBHSA-N 1 2 406.511 4.054 20 30 HIEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)c(C#N)c1C ZINC000444784592 869002020 /nfs/dbraw/zinc/00/20/20/869002020.db2.gz OQAVLRMGFWPCTJ-OAHLLOKOSA-N 1 2 406.486 4.424 20 30 HIEDLO Cc1cc(N2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)nc(C(C)C)[nH+]1 ZINC000461453150 874513038 /nfs/dbraw/zinc/51/30/38/874513038.db2.gz NEHRRAXKFDOUDH-UHFFFAOYSA-N 1 2 406.921 4.308 20 30 HIEDLO COc1ccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2Cl)c(C)c1 ZINC000462175631 875275198 /nfs/dbraw/zinc/27/51/98/875275198.db2.gz LCYOJIYKBZCUNJ-GOTSBHOMSA-N 1 2 413.949 4.391 20 30 HIEDLO CSc1cccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2cc(F)ccc2F)c1 ZINC000462178229 875276477 /nfs/dbraw/zinc/27/64/77/875276477.db2.gz UTTKIXAXQOMLGX-YADHBBJMSA-N 1 2 415.509 4.174 20 30 HIEDLO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1csc(-c2ccccc2F)n1 ZINC000462820070 875860389 /nfs/dbraw/zinc/86/03/89/875860389.db2.gz VGEUQCJBYNYMCF-QRWLVFNGSA-N 1 2 420.513 4.273 20 30 HIEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000462908632 875934286 /nfs/dbraw/zinc/93/42/86/875934286.db2.gz CDHMHICENFLPAI-HNNXBMFYSA-N 1 2 422.330 4.147 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC(OC(C)(C)C)CC2)c1C#N ZINC000468930561 882994969 /nfs/dbraw/zinc/99/49/69/882994969.db2.gz LZVTYXLVUHDAPT-UHFFFAOYSA-N 1 2 422.573 4.243 20 30 HIEDLO CSc1nc(C2CC2)cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1C#N ZINC000463212862 876272030 /nfs/dbraw/zinc/27/20/30/876272030.db2.gz KIZQQXYTFMOIDC-AWEZNQCLSA-N 1 2 412.584 4.133 20 30 HIEDLO N#CCCCOc1cccc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)c1 ZINC000463525364 876595263 /nfs/dbraw/zinc/59/52/63/876595263.db2.gz IXWFKLSLRVCNIX-UHFFFAOYSA-N 1 2 411.509 4.969 20 30 HIEDLO C=CCOc1ccc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000464980048 878325933 /nfs/dbraw/zinc/32/59/33/878325933.db2.gz JPUKFFKNCNVOEZ-UHFFFAOYSA-N 1 2 409.530 4.034 20 30 HIEDLO N#CCCCOc1cccnc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000466607586 880377177 /nfs/dbraw/zinc/37/71/77/880377177.db2.gz DZYBCFLNJGOMGZ-FPOVZHCZSA-N 1 2 416.485 4.011 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1csc(Br)c1 ZINC000467186517 880914302 /nfs/dbraw/zinc/91/43/02/880914302.db2.gz MYPKWNWBDHYOCM-AWEZNQCLSA-N 1 2 406.349 4.278 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1csc(Br)c1 ZINC000467186517 880914308 /nfs/dbraw/zinc/91/43/08/880914308.db2.gz MYPKWNWBDHYOCM-AWEZNQCLSA-N 1 2 406.349 4.278 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1ccc(Cl)cc1 ZINC000469260282 883357746 /nfs/dbraw/zinc/35/77/46/883357746.db2.gz ASQLMRSRNHXXGX-RXVVDRJESA-N 1 2 406.873 4.042 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1ccc(Cl)cc1 ZINC000469260282 883357755 /nfs/dbraw/zinc/35/77/55/883357755.db2.gz ASQLMRSRNHXXGX-RXVVDRJESA-N 1 2 406.873 4.042 20 30 HIEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000471148876 885695676 /nfs/dbraw/zinc/69/56/76/885695676.db2.gz WNKNVQPAORUVPA-RUZDIDTESA-N 1 2 410.521 4.321 20 30 HIEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)c1cccc(SCC#N)c1 ZINC000473005192 887837486 /nfs/dbraw/zinc/83/74/86/887837486.db2.gz YSVQFHIDOASCOG-IRXDYDNUSA-N 1 2 403.548 4.048 20 30 HIEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)c1cccc(SCC#N)c1 ZINC000473005192 887837489 /nfs/dbraw/zinc/83/74/89/887837489.db2.gz YSVQFHIDOASCOG-IRXDYDNUSA-N 1 2 403.548 4.048 20 30 HIEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000475109276 889959409 /nfs/dbraw/zinc/95/94/09/889959409.db2.gz LFKNNNFUFGVHNL-SFHVURJKSA-N 1 2 406.530 4.091 20 30 HIEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000475109276 889959421 /nfs/dbraw/zinc/95/94/21/889959421.db2.gz LFKNNNFUFGVHNL-SFHVURJKSA-N 1 2 406.530 4.091 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CCC(Oc3ccccc3C#N)CC1)C2 ZINC000475911672 890839990 /nfs/dbraw/zinc/83/99/90/890839990.db2.gz UPURWNVRMJWNFS-IPJUCJBFSA-N 1 2 406.530 4.016 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CCC(Oc3ccccc3C#N)CC1)CC2 ZINC000475911672 890839992 /nfs/dbraw/zinc/83/99/92/890839992.db2.gz UPURWNVRMJWNFS-IPJUCJBFSA-N 1 2 406.530 4.016 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476655550 891600031 /nfs/dbraw/zinc/60/00/31/891600031.db2.gz HCLOXQJDPIXAPT-CTNGQTDRSA-N 1 2 415.459 4.470 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476655550 891600047 /nfs/dbraw/zinc/60/00/47/891600047.db2.gz HCLOXQJDPIXAPT-CTNGQTDRSA-N 1 2 415.459 4.470 20 30 HIEDLO Cc1nc([C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)oc1-c1ccc(Cl)cc1 ZINC000477172223 892092339 /nfs/dbraw/zinc/09/23/39/892092339.db2.gz TTWNIBSUMHLNCR-INIZCTEOSA-N 1 2 407.905 4.453 20 30 HIEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000479211126 894475312 /nfs/dbraw/zinc/47/53/12/894475312.db2.gz FEYDSJNSEUBXSD-SFHVURJKSA-N 1 2 400.482 4.179 20 30 HIEDLO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479391831 894695819 /nfs/dbraw/zinc/69/58/19/894695819.db2.gz NGIOFRUWUAFSDD-PXAZEXFGSA-N 1 2 412.342 4.336 20 30 HIEDLO N#CCC[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccc1 ZINC000480184838 895578491 /nfs/dbraw/zinc/57/84/91/895578491.db2.gz TVQMCGDPTPQYBR-ROUUACIJSA-N 1 2 419.344 4.302 20 30 HIEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3c(C#N)cnc4ccc(C(C)C)cc43)CC2)no1 ZINC000480220957 895625307 /nfs/dbraw/zinc/62/53/07/895625307.db2.gz FSBMIYCDFISEDB-HXUWFJFHSA-N 1 2 418.545 4.412 20 30 HIEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3c(C#N)cnc4ccc(C(C)C)cc43)CC2)no1 ZINC000480220957 895625317 /nfs/dbraw/zinc/62/53/17/895625317.db2.gz FSBMIYCDFISEDB-HXUWFJFHSA-N 1 2 418.545 4.412 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000481823227 897195389 /nfs/dbraw/zinc/19/53/89/897195389.db2.gz JITJYDJFGGQMFQ-QRVBRYPASA-N 1 2 408.502 4.083 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000481823227 897195396 /nfs/dbraw/zinc/19/53/96/897195396.db2.gz JITJYDJFGGQMFQ-QRVBRYPASA-N 1 2 408.502 4.083 20 30 HIEDLO Cc1cc2[nH]c(C[NH+]3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2c(C)c1 ZINC000481925973 897309460 /nfs/dbraw/zinc/30/94/60/897309460.db2.gz NSOINFDVQLNWKU-UHFFFAOYSA-N 1 2 401.470 4.227 20 30 HIEDLO N#Cc1ccc(SCC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000482305634 897803433 /nfs/dbraw/zinc/80/34/33/897803433.db2.gz VMNZBOIZVAXMAM-UHFFFAOYSA-N 1 2 420.563 4.304 20 30 HIEDLO N#Cc1ccc(SCC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000482305634 897803436 /nfs/dbraw/zinc/80/34/36/897803436.db2.gz VMNZBOIZVAXMAM-UHFFFAOYSA-N 1 2 420.563 4.304 20 30 HIEDLO COc1ccc2cc([C@H](C)C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2c1 ZINC000482340598 897847925 /nfs/dbraw/zinc/84/79/25/897847925.db2.gz CCJYKHXFKRMSQU-IBGZPJMESA-N 1 2 413.521 4.168 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000505550231 914252068 /nfs/dbraw/zinc/25/20/68/914252068.db2.gz MTCBCCSKFAPSGU-HSZRJFAPSA-N 1 2 415.468 4.063 20 30 HIEDLO C[N@H+](CC#Cc1ccccc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000484002631 899640733 /nfs/dbraw/zinc/64/07/33/899640733.db2.gz LJNJWHMOAZNVCF-UHFFFAOYSA-N 1 2 402.332 4.082 20 30 HIEDLO C[N@@H+](CC#Cc1ccccc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000484002631 899640748 /nfs/dbraw/zinc/64/07/48/899640748.db2.gz LJNJWHMOAZNVCF-UHFFFAOYSA-N 1 2 402.332 4.082 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnc(-c4ccsc4)s3)CC2)cc1 ZINC000485734809 900989188 /nfs/dbraw/zinc/98/91/88/900989188.db2.gz DRZIBNLXHVCXRS-UHFFFAOYSA-N 1 2 408.552 4.091 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnc(-c4ccsc4)s3)CC2)cc1 ZINC000485734809 900989198 /nfs/dbraw/zinc/98/91/98/900989198.db2.gz DRZIBNLXHVCXRS-UHFFFAOYSA-N 1 2 408.552 4.091 20 30 HIEDLO N#CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000486550109 901696744 /nfs/dbraw/zinc/69/67/44/901696744.db2.gz NVQNURNJHVINGO-UHFFFAOYSA-N 1 2 419.485 4.105 20 30 HIEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000505938873 914591142 /nfs/dbraw/zinc/59/11/42/914591142.db2.gz QHWQGTFPHHMDRW-OAHLLOKOSA-N 1 2 416.224 4.082 20 30 HIEDLO Cc1ccc([C@@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)[NH+]2CCOCC2)cc1 ZINC000488210225 902692941 /nfs/dbraw/zinc/69/29/41/902692941.db2.gz PUAXHXDVRICUQT-OAQYLSRUSA-N 1 2 408.452 4.179 20 30 HIEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000490077907 903760680 /nfs/dbraw/zinc/76/06/80/903760680.db2.gz FMURIFDLJHLNMO-GOSISDBHSA-N 1 2 403.935 4.214 20 30 HIEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000490077907 903760685 /nfs/dbraw/zinc/76/06/85/903760685.db2.gz FMURIFDLJHLNMO-GOSISDBHSA-N 1 2 403.935 4.214 20 30 HIEDLO Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000491091655 904422699 /nfs/dbraw/zinc/42/26/99/904422699.db2.gz QBYBEJJAKVTWRK-XMMPIXPASA-N 1 2 404.558 4.481 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497396036 906878044 /nfs/dbraw/zinc/87/80/44/906878044.db2.gz QUEHWFXRYBJKOS-HNNXBMFYSA-N 1 2 401.576 4.249 20 30 HIEDLO CC(C)(C#N)CNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000512787621 921311452 /nfs/dbraw/zinc/31/14/52/921311452.db2.gz KCHYPQNPLIXCIR-NRFANRHFSA-N 1 2 410.949 4.306 20 30 HIEDLO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512846362 921351222 /nfs/dbraw/zinc/35/12/22/921351222.db2.gz ZPRWPRWYNOQQLE-UHFFFAOYSA-N 1 2 401.869 4.141 20 30 HIEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000499175170 908529089 /nfs/dbraw/zinc/52/90/89/908529089.db2.gz YQZPBJFJAPTJBX-RTBURBONSA-N 1 2 419.312 4.058 20 30 HIEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000499175170 908529106 /nfs/dbraw/zinc/52/91/06/908529106.db2.gz YQZPBJFJAPTJBX-RTBURBONSA-N 1 2 419.312 4.058 20 30 HIEDLO COc1cc(C#N)ccc1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000499314761 908687306 /nfs/dbraw/zinc/68/73/06/908687306.db2.gz BHVAACOXWCFZJC-UHFFFAOYSA-N 1 2 405.527 4.036 20 30 HIEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCCC1 ZINC000500735484 910049239 /nfs/dbraw/zinc/04/92/39/910049239.db2.gz APWMBOIVGSQOER-UHFFFAOYSA-N 1 2 424.526 4.051 20 30 HIEDLO C=CCc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC ZINC000501474525 910589498 /nfs/dbraw/zinc/58/94/98/910589498.db2.gz HYXJJFJEKHGISL-QZTJIDSGSA-N 1 2 424.541 4.294 20 30 HIEDLO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000502253057 911207528 /nfs/dbraw/zinc/20/75/28/911207528.db2.gz MACMIZHYIJNIEN-PNAGQFMMSA-N 1 2 411.427 4.454 20 30 HIEDLO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000502253057 911207555 /nfs/dbraw/zinc/20/75/55/911207555.db2.gz MACMIZHYIJNIEN-PNAGQFMMSA-N 1 2 411.427 4.454 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C)c2c(F)cncc2F)c1C#N ZINC000513237337 921649145 /nfs/dbraw/zinc/64/91/45/921649145.db2.gz YGTXMLLIOOVJDI-CYBMUJFWSA-N 1 2 401.461 4.054 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](Cc3csc(CC(=O)Nc4ccccc4)n3)CC2)cc1 ZINC000502516289 911518831 /nfs/dbraw/zinc/51/88/31/911518831.db2.gz NCAKDUQLUSEDMH-UHFFFAOYSA-N 1 2 414.534 4.485 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3csc(CC(=O)Nc4ccccc4)n3)CC2)cc1 ZINC000502516289 911518857 /nfs/dbraw/zinc/51/88/57/911518857.db2.gz NCAKDUQLUSEDMH-UHFFFAOYSA-N 1 2 414.534 4.485 20 30 HIEDLO CCOc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1OCC ZINC000502533872 911539461 /nfs/dbraw/zinc/53/94/61/911539461.db2.gz GTUZFFWNPXZTNC-UHFFFAOYSA-N 1 2 405.498 4.083 20 30 HIEDLO CCOc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1OCC ZINC000502533872 911539470 /nfs/dbraw/zinc/53/94/70/911539470.db2.gz GTUZFFWNPXZTNC-UHFFFAOYSA-N 1 2 405.498 4.083 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000507767418 916552832 /nfs/dbraw/zinc/55/28/32/916552832.db2.gz BRVGGGCFTSPHTE-UHFFFAOYSA-N 1 2 403.404 4.059 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@H](n3ncc4ccccc43)C1)CCCCC2 ZINC000510407530 918878219 /nfs/dbraw/zinc/87/82/19/918878219.db2.gz ROZYUBOVAUVXAH-KRWDZBQOSA-N 1 2 419.554 4.124 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@H](n3ncc4ccccc43)C1)CCCCC2 ZINC000510407530 918878221 /nfs/dbraw/zinc/87/82/21/918878221.db2.gz ROZYUBOVAUVXAH-KRWDZBQOSA-N 1 2 419.554 4.124 20 30 HIEDLO N#C[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513980649 922302320 /nfs/dbraw/zinc/30/23/20/922302320.db2.gz XPXHQMMCHXXPEA-AJTFRIOCSA-N 1 2 423.516 4.138 20 30 HIEDLO N#C[C@@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513980649 922302330 /nfs/dbraw/zinc/30/23/30/922302330.db2.gz XPXHQMMCHXXPEA-AJTFRIOCSA-N 1 2 423.516 4.138 20 30 HIEDLO N#CCCCn1cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c2ccccc21 ZINC000513995184 922319469 /nfs/dbraw/zinc/31/94/69/922319469.db2.gz ULSZYHKQIYBIMF-NRFANRHFSA-N 1 2 406.917 4.385 20 30 HIEDLO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)o1 ZINC000513998872 922322546 /nfs/dbraw/zinc/32/25/46/922322546.db2.gz HKGROZOIMVPDOR-FQEVSTJZSA-N 1 2 421.884 4.170 20 30 HIEDLO N#Cc1cccc(OCc2cccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)c2)c1 ZINC000514686302 922754995 /nfs/dbraw/zinc/75/49/95/922754995.db2.gz YUJNRSMQOHJFGD-UHFFFAOYSA-N 1 2 422.488 4.312 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520197343 928383352 /nfs/dbraw/zinc/38/33/52/928383352.db2.gz CORXKYWMSOIIFD-UYAOXDASSA-N 1 2 424.570 4.103 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520197343 928383362 /nfs/dbraw/zinc/38/33/62/928383362.db2.gz CORXKYWMSOIIFD-UYAOXDASSA-N 1 2 424.570 4.103 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccc(OC)cc1 ZINC000520479831 928590570 /nfs/dbraw/zinc/59/05/70/928590570.db2.gz BSKJTUGFTLNLRS-UHFFFAOYSA-N 1 2 416.905 4.137 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccc(OC)cc1 ZINC000520479831 928590579 /nfs/dbraw/zinc/59/05/79/928590579.db2.gz BSKJTUGFTLNLRS-UHFFFAOYSA-N 1 2 416.905 4.137 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000521747843 929407524 /nfs/dbraw/zinc/40/75/24/929407524.db2.gz BGNKYLMEPROZKO-SFHVURJKSA-N 1 2 424.570 4.092 20 30 HIEDLO C=CCc1cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc(OC)c1OC ZINC000524553288 929682725 /nfs/dbraw/zinc/68/27/25/929682725.db2.gz IWCQOZIIAKVLMB-QGZVFWFLSA-N 1 2 410.514 4.078 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530462373 930718211 /nfs/dbraw/zinc/71/82/11/930718211.db2.gz WLTAUSMEHJXKKE-UYAOXDASSA-N 1 2 402.420 4.127 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530462373 930718224 /nfs/dbraw/zinc/71/82/24/930718224.db2.gz WLTAUSMEHJXKKE-UYAOXDASSA-N 1 2 402.420 4.127 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+]C(C)(C)c2nccs2)c1C#N ZINC000532705695 931598997 /nfs/dbraw/zinc/59/89/97/931598997.db2.gz HPDDKCPQRMVITH-UHFFFAOYSA-N 1 2 411.506 4.025 20 30 HIEDLO COCC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)Cc1ccc(C#N)cc1 ZINC000532944592 931706913 /nfs/dbraw/zinc/70/69/13/931706913.db2.gz BOAYMSKWGUDDTN-HNNXBMFYSA-N 1 2 420.340 4.191 20 30 HIEDLO COCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)Cc1ccc(C#N)cc1 ZINC000532944592 931706919 /nfs/dbraw/zinc/70/69/19/931706919.db2.gz BOAYMSKWGUDDTN-HNNXBMFYSA-N 1 2 420.340 4.191 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC(OCC(C)C)CC2)c1C#N ZINC000533251083 931819128 /nfs/dbraw/zinc/81/91/28/931819128.db2.gz AYYUYUXAFOTGTL-UHFFFAOYSA-N 1 2 422.573 4.100 20 30 HIEDLO CC(C)CCOC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000533251736 931819670 /nfs/dbraw/zinc/81/96/70/931819670.db2.gz MYLKDOWFZRMYJX-GOSISDBHSA-N 1 2 403.592 4.404 20 30 HIEDLO Cc1ncc(-c2ccccc2)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000534090155 932271037 /nfs/dbraw/zinc/27/10/37/932271037.db2.gz QZFVEAWDIHLURD-UHFFFAOYSA-N 1 2 411.509 4.278 20 30 HIEDLO C=CCOc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1OC ZINC000534553064 932559626 /nfs/dbraw/zinc/55/96/26/932559626.db2.gz XRMGSWBKSNOWFM-UHFFFAOYSA-N 1 2 401.466 4.428 20 30 HIEDLO CCN(C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1)CC(F)(F)F ZINC000563269212 945165515 /nfs/dbraw/zinc/16/55/15/945165515.db2.gz UCEMJNGYMPCQSF-ZDUSSCGKSA-N 1 2 404.274 4.027 20 30 HIEDLO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1)CC(F)(F)F ZINC000563269212 945165526 /nfs/dbraw/zinc/16/55/26/945165526.db2.gz UCEMJNGYMPCQSF-ZDUSSCGKSA-N 1 2 404.274 4.027 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538022645 938466673 /nfs/dbraw/zinc/46/66/73/938466673.db2.gz YWSUMSGXNXRWJI-SFTDATJTSA-N 1 2 411.908 4.334 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538022645 938466681 /nfs/dbraw/zinc/46/66/81/938466681.db2.gz YWSUMSGXNXRWJI-SFTDATJTSA-N 1 2 411.908 4.334 20 30 HIEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1C#N ZINC000538129878 938513796 /nfs/dbraw/zinc/51/37/96/938513796.db2.gz LJOSPBDSOBZSLW-QGZVFWFLSA-N 1 2 413.477 4.448 20 30 HIEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000538265292 938578477 /nfs/dbraw/zinc/57/84/77/938578477.db2.gz LNVKIHYJPKNYRG-UHFFFAOYSA-N 1 2 414.538 4.015 20 30 HIEDLO C=CCN1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)C1=O ZINC000538610575 938661116 /nfs/dbraw/zinc/66/11/16/938661116.db2.gz GEXDTTIQHKIEEB-RTBURBONSA-N 1 2 403.295 4.054 20 30 HIEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000539372414 938850753 /nfs/dbraw/zinc/85/07/53/938850753.db2.gz FLXGNADDSLAEJW-IBGZPJMESA-N 1 2 409.505 4.152 20 30 HIEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000539738140 938917529 /nfs/dbraw/zinc/91/75/29/938917529.db2.gz RFIADGIVJLCQNB-UHFFFAOYSA-N 1 2 408.395 4.166 20 30 HIEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2nnc(CC)s2)cc1OCC ZINC000563572184 945220074 /nfs/dbraw/zinc/22/00/74/945220074.db2.gz AUFYGYZXAMHRSV-UHFFFAOYSA-N 1 2 412.353 4.116 20 30 HIEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000540038768 939046126 /nfs/dbraw/zinc/04/61/26/939046126.db2.gz OBFVNSROWUZKDV-LBPRGKRZSA-N 1 2 419.432 4.483 20 30 HIEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)CC2)cc1 ZINC000542703322 939855444 /nfs/dbraw/zinc/85/54/44/939855444.db2.gz OBEBZSXBUFPDOH-UHFFFAOYSA-N 1 2 421.438 4.346 20 30 HIEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)CC2)cc1 ZINC000542703322 939855445 /nfs/dbraw/zinc/85/54/45/939855445.db2.gz OBEBZSXBUFPDOH-UHFFFAOYSA-N 1 2 421.438 4.346 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@@H]2/C=C\c2cccs2)c1 ZINC000543062316 939915838 /nfs/dbraw/zinc/91/58/38/939915838.db2.gz CJMRFCRZXSAMAD-OEIFXAAASA-N 1 2 400.569 4.351 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCCC[C@@H]2/C=C\c2cccs2)c1 ZINC000543062316 939915849 /nfs/dbraw/zinc/91/58/49/939915849.db2.gz CJMRFCRZXSAMAD-OEIFXAAASA-N 1 2 400.569 4.351 20 30 HIEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ncc(-c2ccccc2)o1 ZINC000544466379 940443319 /nfs/dbraw/zinc/44/33/19/940443319.db2.gz IIHBJLOKUNKHEK-UONOGXRCSA-N 1 2 406.511 4.441 20 30 HIEDLO Cc1nc([C@@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)oc1-c1ccc(Cl)cc1 ZINC000545506072 940572329 /nfs/dbraw/zinc/57/23/29/940572329.db2.gz HFCSUJIACLORAI-MRXNPFEDSA-N 1 2 407.905 4.453 20 30 HIEDLO Cc1csc(C2([NH2+]CC(=O)Nc3sc4c(c3C#N)CCCCC4)CCC2)n1 ZINC000546591849 940859234 /nfs/dbraw/zinc/85/92/34/940859234.db2.gz WAXRIQHKDMVVJK-UHFFFAOYSA-N 1 2 400.573 4.261 20 30 HIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000552580042 941711461 /nfs/dbraw/zinc/71/14/61/941711461.db2.gz ZFVHTQWALSPWFZ-CQSZACIVSA-N 1 2 408.951 4.112 20 30 HIEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000552580042 941711465 /nfs/dbraw/zinc/71/14/65/941711465.db2.gz ZFVHTQWALSPWFZ-CQSZACIVSA-N 1 2 408.951 4.112 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000560207849 944196870 /nfs/dbraw/zinc/19/68/70/944196870.db2.gz NTCFNHLZNSMVHP-QGZVFWFLSA-N 1 2 412.534 4.375 20 30 HIEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000560600045 944269443 /nfs/dbraw/zinc/26/94/43/944269443.db2.gz IRZARULPLSJACG-DEOSSOPVSA-N 1 2 413.546 4.210 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000561173100 944497556 /nfs/dbraw/zinc/49/75/56/944497556.db2.gz VDPKGMJOOZUSKW-UWJYYQICSA-N 1 2 409.555 4.123 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000561173100 944497564 /nfs/dbraw/zinc/49/75/64/944497564.db2.gz VDPKGMJOOZUSKW-UWJYYQICSA-N 1 2 409.555 4.123 20 30 HIEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000561209210 944514312 /nfs/dbraw/zinc/51/43/12/944514312.db2.gz RXXRAOOMYBULSZ-UHFFFAOYSA-N 1 2 411.431 4.333 20 30 HIEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000568645653 946634562 /nfs/dbraw/zinc/63/45/62/946634562.db2.gz ZBYZVARUXMUWHT-UHFFFAOYSA-N 1 2 408.527 4.197 20 30 HIEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000568645653 946634585 /nfs/dbraw/zinc/63/45/85/946634585.db2.gz ZBYZVARUXMUWHT-UHFFFAOYSA-N 1 2 408.527 4.197 20 30 HIEDLO Cc1cccn2cc(Cc3noc(C4CCN(c5ccc(C#N)cc5F)CC4)n3)[nH+]c12 ZINC000575785092 948707718 /nfs/dbraw/zinc/70/77/18/948707718.db2.gz YGJNNVVLOKGPJM-UHFFFAOYSA-N 1 2 416.460 4.011 20 30 HIEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000436082439 861362424 /nfs/dbraw/zinc/36/24/24/861362424.db2.gz SSRIYKVMTNVFNT-UHFFFAOYSA-N 1 2 409.486 4.285 20 30 HIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000436158258 861459676 /nfs/dbraw/zinc/45/96/76/861459676.db2.gz TTXVLXRYELUOEB-PMACEKPBSA-N 1 2 409.559 4.433 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000010085762 845618463 /nfs/dbraw/zinc/61/84/63/845618463.db2.gz GTFRAAJCPJYHRX-LEWJYISDSA-N 1 2 413.443 4.025 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000014813962 845983425 /nfs/dbraw/zinc/98/34/25/845983425.db2.gz BVUFQAIERLIZEJ-UHFFFAOYSA-N 1 2 403.526 4.145 20 30 HIEDLO C=CCc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc(OC)c1OC ZINC000025011617 846904794 /nfs/dbraw/zinc/90/47/94/846904794.db2.gz YECOYXJFKWCMQJ-UHFFFAOYSA-N 1 2 415.559 4.373 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025059202 846915185 /nfs/dbraw/zinc/91/51/85/846915185.db2.gz UBXZBWZQUVYXAC-SFHVURJKSA-N 1 2 407.489 4.056 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025258149 846949053 /nfs/dbraw/zinc/94/90/53/846949053.db2.gz FRGWHCHVYMBWMD-GFCCVEGCSA-N 1 2 423.460 4.466 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025258149 846949062 /nfs/dbraw/zinc/94/90/62/846949062.db2.gz FRGWHCHVYMBWMD-GFCCVEGCSA-N 1 2 423.460 4.466 20 30 HIEDLO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1cccc(C#N)c1 ZINC000026329085 847126572 /nfs/dbraw/zinc/12/65/72/847126572.db2.gz ILLLVTDYDBIBST-UHFFFAOYSA-N 1 2 407.455 4.310 20 30 HIEDLO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1cccc(C#N)c1 ZINC000026329085 847126577 /nfs/dbraw/zinc/12/65/77/847126577.db2.gz ILLLVTDYDBIBST-UHFFFAOYSA-N 1 2 407.455 4.310 20 30 HIEDLO C=CCOc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1OC ZINC000028684973 847447343 /nfs/dbraw/zinc/44/73/43/847447343.db2.gz RFLCXYGGRKAZBD-HNNXBMFYSA-N 1 2 401.532 4.201 20 30 HIEDLO C=CCOc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1OC ZINC000028684973 847447350 /nfs/dbraw/zinc/44/73/50/847447350.db2.gz RFLCXYGGRKAZBD-HNNXBMFYSA-N 1 2 401.532 4.201 20 30 HIEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000028684138 847447383 /nfs/dbraw/zinc/44/73/83/847447383.db2.gz RUGATOJPYRWRRQ-CQSZACIVSA-N 1 2 409.515 4.191 20 30 HIEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000028684138 847447388 /nfs/dbraw/zinc/44/73/88/847447388.db2.gz RUGATOJPYRWRRQ-CQSZACIVSA-N 1 2 409.515 4.191 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 ZINC000028879272 847472004 /nfs/dbraw/zinc/47/20/04/847472004.db2.gz REQNPNDPJPLJNE-UHFFFAOYSA-N 1 2 417.340 4.011 20 30 HIEDLO Cc1nc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)ccc1C#N ZINC000029799089 847621851 /nfs/dbraw/zinc/62/18/51/847621851.db2.gz VVYDUUOEWOHERM-UHFFFAOYSA-N 1 2 420.513 4.087 20 30 HIEDLO COc1ccc(-c2nc(NC(=O)C[N@H+](C)Cc3ccc(C#N)cc3)sc2C)cc1 ZINC000052581254 849597178 /nfs/dbraw/zinc/59/71/78/849597178.db2.gz FNRABCOJCXBNBA-UHFFFAOYSA-N 1 2 406.511 4.069 20 30 HIEDLO COc1ccc(-c2nc(NC(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)sc2C)cc1 ZINC000052581254 849597182 /nfs/dbraw/zinc/59/71/82/849597182.db2.gz FNRABCOJCXBNBA-UHFFFAOYSA-N 1 2 406.511 4.069 20 30 HIEDLO Cc1nc(-c2cccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)oc1C ZINC000056730623 850455217 /nfs/dbraw/zinc/45/52/17/850455217.db2.gz JIAXBDOPPAYCLN-UHFFFAOYSA-N 1 2 415.497 4.180 20 30 HIEDLO CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1[C@@H](CC)[NH+](C)C ZINC000058165679 850776553 /nfs/dbraw/zinc/77/65/53/850776553.db2.gz OFBAJPLEZYUYOE-MAUKXSAKSA-N 1 2 414.579 4.082 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1cccc(C#N)c1 ZINC000063300118 851654581 /nfs/dbraw/zinc/65/45/81/851654581.db2.gz BNRUCNWXRWDGOX-UHFFFAOYSA-N 1 2 413.403 4.080 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1cccc(C#N)c1 ZINC000063300118 851654588 /nfs/dbraw/zinc/65/45/88/851654588.db2.gz BNRUCNWXRWDGOX-UHFFFAOYSA-N 1 2 413.403 4.080 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)cc1 ZINC000065438987 852133568 /nfs/dbraw/zinc/13/35/68/852133568.db2.gz GBLXULUWEGFZAC-UHFFFAOYSA-N 1 2 406.383 4.066 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(F)cc1C#N ZINC000097472610 852615066 /nfs/dbraw/zinc/61/50/66/852615066.db2.gz FVKGNWLISUUHJR-UHFFFAOYSA-N 1 2 421.476 4.417 20 30 HIEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000108504970 852855255 /nfs/dbraw/zinc/85/52/55/852855255.db2.gz HAIXQUZHQKHFDX-OXJNMPFZSA-N 1 2 412.559 4.289 20 30 HIEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000108504970 852855263 /nfs/dbraw/zinc/85/52/63/852855263.db2.gz HAIXQUZHQKHFDX-OXJNMPFZSA-N 1 2 412.559 4.289 20 30 HIEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCc3sccc3C2)Cc2cccc(F)c2)cc1 ZINC000108974987 852902616 /nfs/dbraw/zinc/90/26/16/852902616.db2.gz HQGPETZOYOJCRS-UHFFFAOYSA-N 1 2 419.525 4.346 20 30 HIEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCc3sccc3C2)Cc2cccc(F)c2)cc1 ZINC000108974987 852902618 /nfs/dbraw/zinc/90/26/18/852902618.db2.gz HQGPETZOYOJCRS-UHFFFAOYSA-N 1 2 419.525 4.346 20 30 HIEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000113176992 853240146 /nfs/dbraw/zinc/24/01/46/853240146.db2.gz DJYBKHNYWABEJV-HNNXBMFYSA-N 1 2 417.340 4.404 20 30 HIEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000113176992 853240153 /nfs/dbraw/zinc/24/01/53/853240153.db2.gz DJYBKHNYWABEJV-HNNXBMFYSA-N 1 2 417.340 4.404 20 30 HIEDLO CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1[C@@H](CC)[NH+](C)C ZINC000255928302 854218694 /nfs/dbraw/zinc/21/86/94/854218694.db2.gz OFBAJPLEZYUYOE-CRAIPNDOSA-N 1 2 414.579 4.082 20 30 HIEDLO COc1ccc([C@@H](CNc2cc(C#N)ccc2C(F)(F)F)[NH+]2CCOCC2)cc1 ZINC000301730612 854453641 /nfs/dbraw/zinc/45/36/41/854453641.db2.gz SFVQHXGFERWYFE-HXUWFJFHSA-N 1 2 405.420 4.071 20 30 HIEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000426070485 856086344 /nfs/dbraw/zinc/08/63/44/856086344.db2.gz CTVCWAQPGCYCBC-QUCCMNQESA-N 1 2 423.423 4.406 20 30 HIEDLO C=CCOc1ccccc1CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426364325 856260500 /nfs/dbraw/zinc/26/05/00/856260500.db2.gz YWLOTQWRISREQI-GGAORHGYSA-N 1 2 402.498 4.176 20 30 HIEDLO C[C@@]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000426447694 856295809 /nfs/dbraw/zinc/29/58/09/856295809.db2.gz MRFZNHHOJLTRAV-SFHVURJKSA-N 1 2 414.349 4.066 20 30 HIEDLO C[C@]12CC[N@H+](CC(=O)Nc3c(C#N)c4c(n3-c3ccccc3)CCCC4)C[C@H]1C2(F)F ZINC000428742098 857315402 /nfs/dbraw/zinc/31/54/02/857315402.db2.gz CAOCEMJKKVTXRX-OFNKIYASSA-N 1 2 424.495 4.143 20 30 HIEDLO C[C@]12CC[N@@H+](CC(=O)Nc3c(C#N)c4c(n3-c3ccccc3)CCCC4)C[C@H]1C2(F)F ZINC000428742098 857315409 /nfs/dbraw/zinc/31/54/09/857315409.db2.gz CAOCEMJKKVTXRX-OFNKIYASSA-N 1 2 424.495 4.143 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428747565 857316452 /nfs/dbraw/zinc/31/64/52/857316452.db2.gz XBIDMEBEXOYCDQ-GHTZIAJQSA-N 1 2 416.447 4.021 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428747565 857316454 /nfs/dbraw/zinc/31/64/54/857316454.db2.gz XBIDMEBEXOYCDQ-GHTZIAJQSA-N 1 2 416.447 4.021 20 30 HIEDLO N#Cc1cscc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000432409036 859150829 /nfs/dbraw/zinc/15/08/29/859150829.db2.gz WRYPZJCWGYABCD-UHFFFAOYSA-N 1 2 411.527 4.445 20 30 HIEDLO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(-c2ccccc2Cl)n1 ZINC000434985468 860586288 /nfs/dbraw/zinc/58/62/88/860586288.db2.gz AWUCYWLHEOQKQN-QFIPXVFZSA-N 1 2 405.933 4.123 20 30 HIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000435048210 860614302 /nfs/dbraw/zinc/61/43/02/860614302.db2.gz HKMRRYDNRPHUGY-FQEVSTJZSA-N 1 2 402.523 4.304 20 30 HIEDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000435048210 860614307 /nfs/dbraw/zinc/61/43/07/860614307.db2.gz HKMRRYDNRPHUGY-FQEVSTJZSA-N 1 2 402.523 4.304 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000435333681 860745002 /nfs/dbraw/zinc/74/50/02/860745002.db2.gz SCMOPDCHPOFFQL-LJQANCHMSA-N 1 2 413.518 4.061 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000435333681 860745007 /nfs/dbraw/zinc/74/50/07/860745007.db2.gz SCMOPDCHPOFFQL-LJQANCHMSA-N 1 2 413.518 4.061 20 30 HIEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(Sc3cccc(C#N)c3)c2c1C ZINC000467792601 881616408 /nfs/dbraw/zinc/61/64/08/881616408.db2.gz IMFAEUHDTDYGLL-UHFFFAOYSA-N 1 2 412.540 4.261 20 30 HIEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439263160 864679831 /nfs/dbraw/zinc/67/98/31/864679831.db2.gz WRZPQLOGQRHSCA-QRWLVFNGSA-N 1 2 406.368 4.071 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440556125 865817751 /nfs/dbraw/zinc/81/77/51/865817751.db2.gz DHQOBHSXTWXIGV-BIGBRFDTSA-N 1 2 413.587 4.105 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440556125 865817753 /nfs/dbraw/zinc/81/77/53/865817753.db2.gz DHQOBHSXTWXIGV-BIGBRFDTSA-N 1 2 413.587 4.105 20 30 HIEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000441180444 866257124 /nfs/dbraw/zinc/25/71/24/866257124.db2.gz QZXQGMPUAUSMKL-INIZCTEOSA-N 1 2 407.905 4.140 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)cc1 ZINC000441414625 866490091 /nfs/dbraw/zinc/49/00/91/866490091.db2.gz UDEMUHDQFGFJAI-UHFFFAOYSA-N 1 2 420.987 4.242 20 30 HIEDLO C=CCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)c1nc2c(s1)CCCC2 ZINC000444459007 868835971 /nfs/dbraw/zinc/83/59/71/868835971.db2.gz GOBGEFDCBWZWLZ-UHFFFAOYSA-N 1 2 412.584 4.430 20 30 HIEDLO N#Cc1cc(F)c(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c(F)c1 ZINC000445817837 869839609 /nfs/dbraw/zinc/83/96/09/869839609.db2.gz HTLDROLRPUWBGC-HXUWFJFHSA-N 1 2 423.488 4.427 20 30 HIEDLO N#Cc1cc(F)c(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c(F)c1 ZINC000445817837 869839619 /nfs/dbraw/zinc/83/96/19/869839619.db2.gz HTLDROLRPUWBGC-HXUWFJFHSA-N 1 2 423.488 4.427 20 30 HIEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000446511180 870429036 /nfs/dbraw/zinc/42/90/36/870429036.db2.gz FAUPXRNABRZCII-UHFFFAOYSA-N 1 2 414.509 4.040 20 30 HIEDLO Cc1cccc(C(=O)N2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000446769536 870682414 /nfs/dbraw/zinc/68/24/14/870682414.db2.gz RDPMKOMZMQZTLU-UHFFFAOYSA-N 1 2 416.443 4.093 20 30 HIEDLO Cc1cccc(C(=O)N2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000446769536 870682423 /nfs/dbraw/zinc/68/24/23/870682423.db2.gz RDPMKOMZMQZTLU-UHFFFAOYSA-N 1 2 416.443 4.093 20 30 HIEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000447343506 871244915 /nfs/dbraw/zinc/24/49/15/871244915.db2.gz YDVVKQIPCLZRBX-OYHNWAKOSA-N 1 2 417.525 4.374 20 30 HIEDLO COc1cccc2c1[nH+]cc(C)c2N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000468703055 882821711 /nfs/dbraw/zinc/82/17/11/882821711.db2.gz HSRRZSUUPSIZPZ-UHFFFAOYSA-N 1 2 400.482 4.279 20 30 HIEDLO Cc1cc(N2CCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)nc(C(C)C)[nH+]1 ZINC000461453359 874513783 /nfs/dbraw/zinc/51/37/83/874513783.db2.gz NQMRNTNKJVPXGB-UHFFFAOYSA-N 1 2 404.493 4.102 20 30 HIEDLO Cc1nc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c(Cl)cc1C#N ZINC000461720332 874869428 /nfs/dbraw/zinc/86/94/28/874869428.db2.gz UEXHVNUIBLGXNP-LBPRGKRZSA-N 1 2 416.913 4.409 20 30 HIEDLO Cc1nc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c(Cl)cc1C#N ZINC000461884267 875035005 /nfs/dbraw/zinc/03/50/05/875035005.db2.gz QDYRRVOUHIFUOD-UHFFFAOYSA-N 1 2 420.698 4.174 20 30 HIEDLO COc1ccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccccc2Cl)c(C)c1 ZINC000462175629 875274658 /nfs/dbraw/zinc/27/46/58/875274658.db2.gz LCYOJIYKBZCUNJ-DHIUTWEWSA-N 1 2 413.949 4.391 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000462587670 875704940 /nfs/dbraw/zinc/70/49/40/875704940.db2.gz FAPMSQMEXDFKSQ-XFPJRNFQSA-N 1 2 401.432 4.031 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000462587670 875704950 /nfs/dbraw/zinc/70/49/50/875704950.db2.gz FAPMSQMEXDFKSQ-XFPJRNFQSA-N 1 2 401.432 4.031 20 30 HIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000463144346 876196231 /nfs/dbraw/zinc/19/62/31/876196231.db2.gz AMDBJBPUXMUYPM-MRXNPFEDSA-N 1 2 421.488 4.207 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000464846933 878120558 /nfs/dbraw/zinc/12/05/58/878120558.db2.gz BNEXJALDIANAMF-OXQOHEQNSA-N 1 2 412.534 4.018 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000464846933 878120567 /nfs/dbraw/zinc/12/05/67/878120567.db2.gz BNEXJALDIANAMF-OXQOHEQNSA-N 1 2 412.534 4.018 20 30 HIEDLO C[C@@H]1C[C@H]1[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000466149533 879855865 /nfs/dbraw/zinc/85/58/65/879855865.db2.gz KOKMKCUHVHQSJB-NLSFWIRASA-N 1 2 422.960 4.436 20 30 HIEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000469448553 883647479 /nfs/dbraw/zinc/64/74/79/883647479.db2.gz QPDXDFMGDDGMMA-AVRDEDQJSA-N 1 2 416.529 4.000 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000469454160 883657638 /nfs/dbraw/zinc/65/76/38/883657638.db2.gz HJYLBQKWGHKKMI-QGZVFWFLSA-N 1 2 413.468 4.100 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000469454160 883657655 /nfs/dbraw/zinc/65/76/55/883657655.db2.gz HJYLBQKWGHKKMI-QGZVFWFLSA-N 1 2 413.468 4.100 20 30 HIEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470224821 884551360 /nfs/dbraw/zinc/55/13/60/884551360.db2.gz ULTQJKJVHHTNNJ-DEXQXJORSA-N 1 2 417.962 4.017 20 30 HIEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470224821 884551372 /nfs/dbraw/zinc/55/13/72/884551372.db2.gz ULTQJKJVHHTNNJ-DEXQXJORSA-N 1 2 417.962 4.017 20 30 HIEDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000470227213 884552969 /nfs/dbraw/zinc/55/29/69/884552969.db2.gz VBKRJBGOTGKBAI-UHFFFAOYSA-N 1 2 423.582 4.033 20 30 HIEDLO Cc1coc(-c2ccc(C)c(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)n1 ZINC000470256211 884594236 /nfs/dbraw/zinc/59/42/36/884594236.db2.gz TVCFRSMPVOJQLG-UHFFFAOYSA-N 1 2 415.497 4.180 20 30 HIEDLO C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000470643612 885068195 /nfs/dbraw/zinc/06/81/95/885068195.db2.gz WAFQTYNDBBETJG-UHFFFAOYSA-N 1 2 402.498 4.130 20 30 HIEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)ccc1OC(F)F ZINC000471031952 885538811 /nfs/dbraw/zinc/53/88/11/885538811.db2.gz XUJMVUHIKKPXDK-SFHVURJKSA-N 1 2 421.875 4.332 20 30 HIEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](c4cccs4)C3)sc2C1 ZINC000472824689 887669976 /nfs/dbraw/zinc/66/99/76/887669976.db2.gz CSJLBOMXIQMXEE-PBHICJAKSA-N 1 2 415.584 4.208 20 30 HIEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@H](c4cccs4)C3)sc2C1 ZINC000472824689 887669982 /nfs/dbraw/zinc/66/99/82/887669982.db2.gz CSJLBOMXIQMXEE-PBHICJAKSA-N 1 2 415.584 4.208 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473156834 887935749 /nfs/dbraw/zinc/93/57/49/887935749.db2.gz AIOMULXXLDHHTH-GAJHUEQPSA-N 1 2 407.539 4.008 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473156834 887935756 /nfs/dbraw/zinc/93/57/56/887935756.db2.gz AIOMULXXLDHHTH-GAJHUEQPSA-N 1 2 407.539 4.008 20 30 HIEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000475119213 889975136 /nfs/dbraw/zinc/97/51/36/889975136.db2.gz ORYWLRYZFYEKSH-UHFFFAOYSA-N 1 2 424.451 4.076 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000475802044 890736691 /nfs/dbraw/zinc/73/66/91/890736691.db2.gz VMFCIYYAYDTMLR-HNNXBMFYSA-N 1 2 409.223 4.311 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000475910416 890838776 /nfs/dbraw/zinc/83/87/76/890838776.db2.gz IIOVEAACOBHDDF-UHFFFAOYSA-N 1 2 424.451 4.001 20 30 HIEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000479168905 894436563 /nfs/dbraw/zinc/43/65/63/894436563.db2.gz QXYYNWHGYKCMTM-UHFFFAOYSA-N 1 2 414.465 4.143 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000479847899 895179934 /nfs/dbraw/zinc/17/99/34/895179934.db2.gz MHKRSZHMVRXPTH-UHFFFAOYSA-N 1 2 402.325 4.142 20 30 HIEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000479918577 895266090 /nfs/dbraw/zinc/26/60/90/895266090.db2.gz XYUILMFTYXZXLC-OAQYLSRUSA-N 1 2 421.566 4.036 20 30 HIEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000481006459 896338910 /nfs/dbraw/zinc/33/89/10/896338910.db2.gz BSQOZUPLHXDSLW-UHFFFAOYSA-N 1 2 406.939 4.162 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481705948 897094953 /nfs/dbraw/zinc/09/49/53/897094953.db2.gz WWWOBTSYEHMCHI-HOYKHHGWSA-N 1 2 421.566 4.398 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481705948 897094971 /nfs/dbraw/zinc/09/49/71/897094971.db2.gz WWWOBTSYEHMCHI-HOYKHHGWSA-N 1 2 421.566 4.398 20 30 HIEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 ZINC000481711484 897102159 /nfs/dbraw/zinc/10/21/59/897102159.db2.gz FFMVCHRPSRABPN-HSZRJFAPSA-N 1 2 409.917 4.108 20 30 HIEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 ZINC000481711484 897102169 /nfs/dbraw/zinc/10/21/69/897102169.db2.gz FFMVCHRPSRABPN-HSZRJFAPSA-N 1 2 409.917 4.108 20 30 HIEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl ZINC000505511657 914201693 /nfs/dbraw/zinc/20/16/93/914201693.db2.gz GOLUGZFJORASHN-AWEZNQCLSA-N 1 2 416.224 4.082 20 30 HIEDLO COc1ccc2cc([C@@H](C)C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2c1 ZINC000482340599 897848280 /nfs/dbraw/zinc/84/82/80/897848280.db2.gz CCJYKHXFKRMSQU-LJQANCHMSA-N 1 2 413.521 4.168 20 30 HIEDLO CCCc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482583729 898180376 /nfs/dbraw/zinc/18/03/76/898180376.db2.gz XOASBHVCAGLYQE-UHFFFAOYSA-N 1 2 417.553 4.277 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4cc(F)c(F)c(F)c4)no3)CC2)cc1 ZINC000482861834 898474411 /nfs/dbraw/zinc/47/44/11/898474411.db2.gz XHMVSDZOJCHUIQ-UHFFFAOYSA-N 1 2 414.387 4.069 20 30 HIEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)cc1C#N ZINC000483328867 898957915 /nfs/dbraw/zinc/95/79/15/898957915.db2.gz WUIKJLDXWQNHNS-QGZVFWFLSA-N 1 2 412.291 4.046 20 30 HIEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)cc1C#N ZINC000483328867 898957920 /nfs/dbraw/zinc/95/79/20/898957920.db2.gz WUIKJLDXWQNHNS-QGZVFWFLSA-N 1 2 412.291 4.046 20 30 HIEDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000483421614 899049924 /nfs/dbraw/zinc/04/99/24/899049924.db2.gz VBIMTEKZPDHJNQ-HSZRJFAPSA-N 1 2 404.539 4.161 20 30 HIEDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000483421614 899049940 /nfs/dbraw/zinc/04/99/40/899049940.db2.gz VBIMTEKZPDHJNQ-HSZRJFAPSA-N 1 2 404.539 4.161 20 30 HIEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1 ZINC000505692470 914382286 /nfs/dbraw/zinc/38/22/86/914382286.db2.gz VGIWUBFRQFUFEL-OAQYLSRUSA-N 1 2 418.884 4.186 20 30 HIEDLO C[N@H+](Cc1csc(Br)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485817089 901066404 /nfs/dbraw/zinc/06/64/04/901066404.db2.gz PZNFIJWQRITBSI-INIZCTEOSA-N 1 2 404.333 4.010 20 30 HIEDLO C[N@@H+](Cc1csc(Br)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485817089 901066420 /nfs/dbraw/zinc/06/64/20/901066420.db2.gz PZNFIJWQRITBSI-INIZCTEOSA-N 1 2 404.333 4.010 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490801356 904248757 /nfs/dbraw/zinc/24/87/57/904248757.db2.gz KDKOAOAYXUBIRF-UHFFFAOYSA-N 1 2 406.486 4.123 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490801356 904248772 /nfs/dbraw/zinc/24/87/72/904248772.db2.gz KDKOAOAYXUBIRF-UHFFFAOYSA-N 1 2 406.486 4.123 20 30 HIEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cc(C#N)ccc2F)c2ccc(F)cc2)c1 ZINC000494020697 905361070 /nfs/dbraw/zinc/36/10/70/905361070.db2.gz OGPJRXRNUTYKSN-JOCHJYFZSA-N 1 2 412.461 4.119 20 30 HIEDLO Cc1ccc(C[C@@H](C#N)Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC000494378128 905675908 /nfs/dbraw/zinc/67/59/08/905675908.db2.gz JXEBMCDMMPYNAI-NRFANRHFSA-N 1 2 403.555 4.399 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000512511465 921207391 /nfs/dbraw/zinc/20/73/91/921207391.db2.gz HRCRPADEDXXXCO-LJQANCHMSA-N 1 2 411.550 4.196 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000512511465 921207402 /nfs/dbraw/zinc/20/74/02/921207402.db2.gz HRCRPADEDXXXCO-LJQANCHMSA-N 1 2 411.550 4.196 20 30 HIEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512837848 921341045 /nfs/dbraw/zinc/34/10/45/921341045.db2.gz AKADAROMQATIGK-AWEZNQCLSA-N 1 2 424.501 4.177 20 30 HIEDLO C=C(C)COc1cc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC ZINC000506354611 914976114 /nfs/dbraw/zinc/97/61/14/914976114.db2.gz DTRRKDFNAVPJKL-QGZVFWFLSA-N 1 2 403.544 4.247 20 30 HIEDLO C=C(C)COc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC ZINC000506354611 914976119 /nfs/dbraw/zinc/97/61/19/914976119.db2.gz DTRRKDFNAVPJKL-QGZVFWFLSA-N 1 2 403.544 4.247 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507817740 916610279 /nfs/dbraw/zinc/61/02/79/916610279.db2.gz GCRJPPPNVDOPMU-OAHLLOKOSA-N 1 2 417.431 4.447 20 30 HIEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000507918568 916800039 /nfs/dbraw/zinc/80/00/39/916800039.db2.gz DDAQCJVBDBKOAJ-UHFFFAOYSA-N 1 2 409.493 4.007 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(SCC#N)c2)[C@@H](C)C1 ZINC000508306454 917115460 /nfs/dbraw/zinc/11/54/60/917115460.db2.gz XWXMWZCANHUTAI-SFHVURJKSA-N 1 2 409.555 4.047 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(SCC#N)c2)[C@@H](C)C1 ZINC000508306454 917115468 /nfs/dbraw/zinc/11/54/68/917115468.db2.gz XWXMWZCANHUTAI-SFHVURJKSA-N 1 2 409.555 4.047 20 30 HIEDLO Cc1cc(C#N)ccc1C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000508667143 917432259 /nfs/dbraw/zinc/43/22/59/917432259.db2.gz RPFVBHMJNMZCFA-UHFFFAOYSA-N 1 2 423.314 4.168 20 30 HIEDLO COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)C[C@H](C)C#N)cc1OC ZINC000509799924 918406340 /nfs/dbraw/zinc/40/63/40/918406340.db2.gz VAZVRGZBUUWUKG-GOSISDBHSA-N 1 2 404.514 4.207 20 30 HIEDLO COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)C[C@H](C)C#N)cc1OC ZINC000509799924 918406346 /nfs/dbraw/zinc/40/63/46/918406346.db2.gz VAZVRGZBUUWUKG-GOSISDBHSA-N 1 2 404.514 4.207 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(Br)cs1 ZINC000510070294 918639282 /nfs/dbraw/zinc/63/92/82/918639282.db2.gz JPVRQICVRAMBFT-CQSZACIVSA-N 1 2 406.349 4.278 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(Br)cs1 ZINC000510070294 918639283 /nfs/dbraw/zinc/63/92/83/918639283.db2.gz JPVRQICVRAMBFT-CQSZACIVSA-N 1 2 406.349 4.278 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cc(Br)cs1 ZINC000510077516 918645843 /nfs/dbraw/zinc/64/58/43/918645843.db2.gz RYZCVSIRJDGZOD-JTQLQIEISA-N 1 2 424.389 4.391 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cc(Br)cs1 ZINC000510077516 918645846 /nfs/dbraw/zinc/64/58/46/918645846.db2.gz RYZCVSIRJDGZOD-JTQLQIEISA-N 1 2 424.389 4.391 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)CC2)cc1 ZINC000511326319 919918599 /nfs/dbraw/zinc/91/85/99/919918599.db2.gz RNXDTJAORMAYSB-HSZRJFAPSA-N 1 2 406.505 4.066 20 30 HIEDLO CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513582340 921913290 /nfs/dbraw/zinc/91/32/90/921913290.db2.gz LTNXUQHAJHZBTN-VMRPVKRXSA-N 1 2 410.315 4.246 20 30 HIEDLO CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513582340 921913299 /nfs/dbraw/zinc/91/32/99/921913299.db2.gz LTNXUQHAJHZBTN-VMRPVKRXSA-N 1 2 410.315 4.246 20 30 HIEDLO N#C[C@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513980651 922301528 /nfs/dbraw/zinc/30/15/28/922301528.db2.gz XPXHQMMCHXXPEA-CUNXSJBXSA-N 1 2 423.516 4.138 20 30 HIEDLO N#C[C@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513980651 922301545 /nfs/dbraw/zinc/30/15/45/922301545.db2.gz XPXHQMMCHXXPEA-CUNXSJBXSA-N 1 2 423.516 4.138 20 30 HIEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000519200573 927824736 /nfs/dbraw/zinc/82/47/36/927824736.db2.gz RTRAVUMIMDFTGY-LJQANCHMSA-N 1 2 404.514 4.172 20 30 HIEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000520940272 928883120 /nfs/dbraw/zinc/88/31/20/928883120.db2.gz KVADGELSXWFCAO-SFHVURJKSA-N 1 2 424.570 4.439 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000521747842 929406784 /nfs/dbraw/zinc/40/67/84/929406784.db2.gz BGNKYLMEPROZKO-GOSISDBHSA-N 1 2 424.570 4.092 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530462364 930718754 /nfs/dbraw/zinc/71/87/54/930718754.db2.gz WLTAUSMEHJXKKE-ICSRJNTNSA-N 1 2 402.420 4.127 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530462364 930718781 /nfs/dbraw/zinc/71/87/81/930718781.db2.gz WLTAUSMEHJXKKE-ICSRJNTNSA-N 1 2 402.420 4.127 20 30 HIEDLO CC1CCC(OC2CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)CC1 ZINC000532553561 931520467 /nfs/dbraw/zinc/52/04/67/931520467.db2.gz NAHZGAYMTIIZFI-UHFFFAOYSA-N 1 2 401.576 4.300 20 30 HIEDLO Cc1ccc(OC2CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 ZINC000532975899 931723272 /nfs/dbraw/zinc/72/32/72/931723272.db2.gz VVJWWWVCZVXNIA-MRXNPFEDSA-N 1 2 409.555 4.287 20 30 HIEDLO O=C(CC1CCCC1)N1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000533462585 931875362 /nfs/dbraw/zinc/87/53/62/931875362.db2.gz TVDHGXUZOYSVGU-UHFFFAOYSA-N 1 2 408.464 4.051 20 30 HIEDLO O=C(CC1CCCC1)N1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000533462585 931875366 /nfs/dbraw/zinc/87/53/66/931875366.db2.gz TVDHGXUZOYSVGU-UHFFFAOYSA-N 1 2 408.464 4.051 20 30 HIEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000533606122 931919797 /nfs/dbraw/zinc/91/97/97/931919797.db2.gz BMOPGSWAOIKQCV-HNNXBMFYSA-N 1 2 410.461 4.434 20 30 HIEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000533606122 931919802 /nfs/dbraw/zinc/91/98/02/931919802.db2.gz BMOPGSWAOIKQCV-HNNXBMFYSA-N 1 2 410.461 4.434 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534692910 932663935 /nfs/dbraw/zinc/66/39/35/932663935.db2.gz WDKYOAGJIUIQQI-QGZVFWFLSA-N 1 2 401.919 4.047 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534692910 932663944 /nfs/dbraw/zinc/66/39/44/932663944.db2.gz WDKYOAGJIUIQQI-QGZVFWFLSA-N 1 2 401.919 4.047 20 30 HIEDLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537628774 938339924 /nfs/dbraw/zinc/33/99/24/938339924.db2.gz ADJPQJOWQKLPHC-UHFFFAOYSA-N 1 2 411.465 4.214 20 30 HIEDLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537628774 938339927 /nfs/dbraw/zinc/33/99/27/938339927.db2.gz ADJPQJOWQKLPHC-UHFFFAOYSA-N 1 2 411.465 4.214 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C3)cs1 ZINC000537896554 938403361 /nfs/dbraw/zinc/40/33/61/938403361.db2.gz FYGNAFFRSUBAKL-UHFFFAOYSA-N 1 2 422.579 4.485 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C3)cs1 ZINC000537896554 938403367 /nfs/dbraw/zinc/40/33/67/938403367.db2.gz FYGNAFFRSUBAKL-UHFFFAOYSA-N 1 2 422.579 4.485 20 30 HIEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000538539186 938644400 /nfs/dbraw/zinc/64/44/00/938644400.db2.gz FHPLNSCFMXNTMB-YADARESESA-N 1 2 416.569 4.318 20 30 HIEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000538539186 938644401 /nfs/dbraw/zinc/64/44/01/938644401.db2.gz FHPLNSCFMXNTMB-YADARESESA-N 1 2 416.569 4.318 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128403 938807609 /nfs/dbraw/zinc/80/76/09/938807609.db2.gz SLIOFAHAGPMGQU-PKOBYXMFSA-N 1 2 407.823 4.194 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128403 938807611 /nfs/dbraw/zinc/80/76/11/938807611.db2.gz SLIOFAHAGPMGQU-PKOBYXMFSA-N 1 2 407.823 4.194 20 30 HIEDLO N#Cc1ccccc1-c1ccc(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000539159954 938813956 /nfs/dbraw/zinc/81/39/56/938813956.db2.gz DCHPBAMEAFCTLN-UHFFFAOYSA-N 1 2 407.477 4.410 20 30 HIEDLO N#CC1(c2ccc(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4Cl)C3)cc2)CC1 ZINC000540773459 939367724 /nfs/dbraw/zinc/36/77/24/939367724.db2.gz FFPRXVZTFKOURD-HXUWFJFHSA-N 1 2 411.908 4.429 20 30 HIEDLO N#CC1(c2ccc(C(=O)N[C@@H]3CCC[N@H+](Cc4ccc(F)cc4Cl)C3)cc2)CC1 ZINC000540773459 939367726 /nfs/dbraw/zinc/36/77/26/939367726.db2.gz FFPRXVZTFKOURD-HXUWFJFHSA-N 1 2 411.908 4.429 20 30 HIEDLO N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541532553 939546038 /nfs/dbraw/zinc/54/60/38/939546038.db2.gz GWQLQQMTJBFOGG-UHFFFAOYSA-N 1 2 418.497 4.259 20 30 HIEDLO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1nccs1 ZINC000541595774 939562494 /nfs/dbraw/zinc/56/24/94/939562494.db2.gz VNZQHRMGPLQRCG-SFHVURJKSA-N 1 2 411.506 4.241 20 30 HIEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)s1 ZINC000541692018 939605317 /nfs/dbraw/zinc/60/53/17/939605317.db2.gz WICFDVBHUQVPFV-AWEZNQCLSA-N 1 2 411.506 4.159 20 30 HIEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000542107385 939716044 /nfs/dbraw/zinc/71/60/44/939716044.db2.gz KIPKMLYOJVPFHU-UHFFFAOYSA-N 1 2 403.433 4.080 20 30 HIEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)o1 ZINC000542557259 939843229 /nfs/dbraw/zinc/84/32/29/939843229.db2.gz IRBQHLFVIOXJSO-NRFANRHFSA-N 1 2 420.513 4.037 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000544470490 940445496 /nfs/dbraw/zinc/44/54/96/940445496.db2.gz ABHCDBLCXXVVAJ-ROUUACIJSA-N 1 2 418.497 4.336 20 30 HIEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]CC#Cc3ccc(OC(F)(F)F)cc3)n2)c1 ZINC000544514546 940465788 /nfs/dbraw/zinc/46/57/88/940465788.db2.gz ZSMSVVHEGBQMOZ-CQSZACIVSA-N 1 2 417.387 4.346 20 30 HIEDLO Cc1cccn2cc(Cc3noc(-c4ccc(Oc5ccc(C#N)cn5)cc4)n3)[nH+]c12 ZINC000545677416 940580253 /nfs/dbraw/zinc/58/02/53/940580253.db2.gz ZUDBQVCGVBIGPD-UHFFFAOYSA-N 1 2 408.421 4.343 20 30 HIEDLO Cc1cccn2cc(Cc3noc(-c4ccc(COc5ccc(C#N)cc5)o4)n3)[nH+]c12 ZINC000545684462 940580561 /nfs/dbraw/zinc/58/05/61/940580561.db2.gz WAHDVHSXHIJXTM-UHFFFAOYSA-N 1 2 411.421 4.327 20 30 HIEDLO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000555264837 942453172 /nfs/dbraw/zinc/45/31/72/942453172.db2.gz DMAWYCDSBVCILI-KRWDZBQOSA-N 1 2 424.499 4.078 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555482201 942585097 /nfs/dbraw/zinc/58/50/97/942585097.db2.gz VXKSGTCVPNDKFA-PMACEKPBSA-N 1 2 412.896 4.084 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555482201 942585110 /nfs/dbraw/zinc/58/51/10/942585110.db2.gz VXKSGTCVPNDKFA-PMACEKPBSA-N 1 2 412.896 4.084 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556942392 942975602 /nfs/dbraw/zinc/97/56/02/942975602.db2.gz VJNDIOZEXHFWRA-UXHICEINSA-N 1 2 417.887 4.329 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556942392 942975606 /nfs/dbraw/zinc/97/56/06/942975606.db2.gz VJNDIOZEXHFWRA-UXHICEINSA-N 1 2 417.887 4.329 20 30 HIEDLO N#Cc1ccc(Br)c(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1 ZINC000558860505 943704855 /nfs/dbraw/zinc/70/48/55/943704855.db2.gz DMNAKXSPDDUYAN-UHFFFAOYSA-N 1 2 408.303 4.066 20 30 HIEDLO N#Cc1ccc(Br)c(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1 ZINC000558860505 943704867 /nfs/dbraw/zinc/70/48/67/943704867.db2.gz DMNAKXSPDDUYAN-UHFFFAOYSA-N 1 2 408.303 4.066 20 30 HIEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc4c(cc3Br)OCO4)CC2)c1 ZINC000560675952 944290313 /nfs/dbraw/zinc/29/03/13/944290313.db2.gz TWHYNBDZUYYFLW-UHFFFAOYSA-N 1 2 415.287 4.093 20 30 HIEDLO N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)c(F)c1 ZINC000565262603 945794415 /nfs/dbraw/zinc/79/44/15/945794415.db2.gz JUUYOXGGGFUUHO-HNNXBMFYSA-N 1 2 409.852 4.001 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)o2)c1 ZINC000570542550 947282464 /nfs/dbraw/zinc/28/24/64/947282464.db2.gz QQEQTUIVGXDKMW-INIZCTEOSA-N 1 2 418.335 4.426 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)o2)c1 ZINC000570542550 947282494 /nfs/dbraw/zinc/28/24/94/947282494.db2.gz QQEQTUIVGXDKMW-INIZCTEOSA-N 1 2 418.335 4.426 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572859374 948022544 /nfs/dbraw/zinc/02/25/44/948022544.db2.gz OVIZMYYMZGCMHR-HKUYNNGSSA-N 1 2 417.916 4.474 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572859374 948022548 /nfs/dbraw/zinc/02/25/48/948022548.db2.gz OVIZMYYMZGCMHR-HKUYNNGSSA-N 1 2 417.916 4.474 20 30 HIEDLO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000574028566 948352550 /nfs/dbraw/zinc/35/25/50/948352550.db2.gz PHZMOJUHRMVRFC-NRFANRHFSA-N 1 2 410.518 4.373 20 30 HIEDLO N#CCCCOc1cccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000574028566 948352560 /nfs/dbraw/zinc/35/25/60/948352560.db2.gz PHZMOJUHRMVRFC-NRFANRHFSA-N 1 2 410.518 4.373 20 30 HIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2)cc1 ZINC000574486485 948456619 /nfs/dbraw/zinc/45/66/19/948456619.db2.gz GZXPTWNLJYXRRI-MSOLQXFVSA-N 1 2 417.513 4.285 20 30 HIEDLO C=CC[NH+]1CCN(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)CC1 ZINC001165032466 721868217 /nfs/dbraw/zinc/86/82/17/721868217.db2.gz ULEHCUAWQZAWRW-UHFFFAOYSA-N 1 2 417.891 4.142 20 30 HIEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436164808 861467120 /nfs/dbraw/zinc/46/71/20/861467120.db2.gz LENXOPRFEBFHHF-QHCPKHFHSA-N 1 2 408.502 4.087 20 30 HIEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)c1 ZINC000007718578 845398033 /nfs/dbraw/zinc/39/80/33/845398033.db2.gz LFCZFRFBDNCAJQ-IBGZPJMESA-N 1 2 411.527 4.095 20 30 HIEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)c1 ZINC000007718578 845398040 /nfs/dbraw/zinc/39/80/40/845398040.db2.gz LFCZFRFBDNCAJQ-IBGZPJMESA-N 1 2 411.527 4.095 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 ZINC000009757896 845588401 /nfs/dbraw/zinc/58/84/01/845588401.db2.gz PAODRHNLGWEWAB-QFIPXVFZSA-N 1 2 408.933 4.190 20 30 HIEDLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)n2)c1 ZINC000026329285 847126061 /nfs/dbraw/zinc/12/60/61/847126061.db2.gz FMAXJXKHVVYMHG-UHFFFAOYSA-N 1 2 422.510 4.419 20 30 HIEDLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)n2)c1 ZINC000026329285 847126067 /nfs/dbraw/zinc/12/60/67/847126067.db2.gz FMAXJXKHVVYMHG-UHFFFAOYSA-N 1 2 422.510 4.419 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026329048 847126622 /nfs/dbraw/zinc/12/66/22/847126622.db2.gz OTSMVBKMUSPMMC-UHFFFAOYSA-N 1 2 415.472 4.047 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026329048 847126625 /nfs/dbraw/zinc/12/66/25/847126625.db2.gz OTSMVBKMUSPMMC-UHFFFAOYSA-N 1 2 415.472 4.047 20 30 HIEDLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1cccc(C#N)c1 ZINC000026325905 847126663 /nfs/dbraw/zinc/12/66/63/847126663.db2.gz CBFKATXAIGOAOC-LJQANCHMSA-N 1 2 420.563 4.491 20 30 HIEDLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1cccc(C#N)c1 ZINC000026325905 847126670 /nfs/dbraw/zinc/12/66/70/847126670.db2.gz CBFKATXAIGOAOC-LJQANCHMSA-N 1 2 420.563 4.491 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000027356759 847288885 /nfs/dbraw/zinc/28/88/85/847288885.db2.gz KCWXIHRKRRYFPY-RUZDIDTESA-N 1 2 410.521 4.056 20 30 HIEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031890168 847961228 /nfs/dbraw/zinc/96/12/28/847961228.db2.gz PFIBTAHJWGKECM-DNVCBOLYSA-N 1 2 415.896 4.071 20 30 HIEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000041537011 848227219 /nfs/dbraw/zinc/22/72/19/848227219.db2.gz OTAOWSMBZOMVKV-MRXNPFEDSA-N 1 2 415.434 4.394 20 30 HIEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000058453326 850828539 /nfs/dbraw/zinc/82/85/39/850828539.db2.gz YAFUYUXNFWMPMR-UHFFFAOYSA-N 1 2 402.420 4.235 20 30 HIEDLO N#CCCN(C(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000060483772 851116363 /nfs/dbraw/zinc/11/63/63/851116363.db2.gz NHMUEARCPTXIME-UHFFFAOYSA-N 1 2 409.917 4.182 20 30 HIEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1=S ZINC000097507011 852621446 /nfs/dbraw/zinc/62/14/46/852621446.db2.gz CBFHVHDWJMSAJZ-FQEVSTJZSA-N 1 2 409.534 4.466 20 30 HIEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1=S ZINC000097507011 852621449 /nfs/dbraw/zinc/62/14/49/852621449.db2.gz CBFHVHDWJMSAJZ-FQEVSTJZSA-N 1 2 409.534 4.466 20 30 HIEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)ccc1SC ZINC000116601514 853319682 /nfs/dbraw/zinc/31/96/82/853319682.db2.gz NLVVBQVGZUFCDH-UHFFFAOYSA-N 1 2 401.557 4.103 20 30 HIEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)ccc1SC ZINC000116601514 853319689 /nfs/dbraw/zinc/31/96/89/853319689.db2.gz NLVVBQVGZUFCDH-UHFFFAOYSA-N 1 2 401.557 4.103 20 30 HIEDLO CCCc1ccc(C(=O)CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000252347323 854203862 /nfs/dbraw/zinc/20/38/62/854203862.db2.gz VQPVGVSOUQDYPN-UHFFFAOYSA-N 1 2 417.553 4.208 20 30 HIEDLO CCCc1ccc(C(=O)CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000252347323 854203870 /nfs/dbraw/zinc/20/38/70/854203870.db2.gz VQPVGVSOUQDYPN-UHFFFAOYSA-N 1 2 417.553 4.208 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000303347847 854885684 /nfs/dbraw/zinc/88/56/84/854885684.db2.gz ZXCFQNOKKFGPEO-AWEZNQCLSA-N 1 2 407.455 4.285 20 30 HIEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000303693046 855137428 /nfs/dbraw/zinc/13/74/28/855137428.db2.gz QAQYBRWRMNDUQM-QWRGUYRKSA-N 1 2 400.338 4.208 20 30 HIEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000303693046 855137433 /nfs/dbraw/zinc/13/74/33/855137433.db2.gz QAQYBRWRMNDUQM-QWRGUYRKSA-N 1 2 400.338 4.208 20 30 HIEDLO Cc1nc(SCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c(C#N)c(C)c1C ZINC000410317118 855924881 /nfs/dbraw/zinc/92/48/81/855924881.db2.gz JQWOSRWMTVUZKC-UHFFFAOYSA-N 1 2 423.586 4.062 20 30 HIEDLO Cn1c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)cc2[nH+]c1C1CC1 ZINC000410349872 855942510 /nfs/dbraw/zinc/94/25/10/855942510.db2.gz BZHBDHRAMKABBQ-UHFFFAOYSA-N 1 2 420.416 4.142 20 30 HIEDLO Cc1nc(C(C)C)oc1C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000428291366 857143390 /nfs/dbraw/zinc/14/33/90/857143390.db2.gz ABSBOEHNMZGTHE-GOSISDBHSA-N 1 2 417.351 4.251 20 30 HIEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428922544 857417173 /nfs/dbraw/zinc/41/71/73/857417173.db2.gz BIYNDBUSROODJA-DYVFJYSZSA-N 1 2 423.460 4.429 20 30 HIEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428922544 857417178 /nfs/dbraw/zinc/41/71/78/857417178.db2.gz BIYNDBUSROODJA-DYVFJYSZSA-N 1 2 423.460 4.429 20 30 HIEDLO CC[N@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000430033753 858004520 /nfs/dbraw/zinc/00/45/20/858004520.db2.gz RXOTUVFDJADMJH-OAHLLOKOSA-N 1 2 421.360 4.178 20 30 HIEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000430033753 858004521 /nfs/dbraw/zinc/00/45/21/858004521.db2.gz RXOTUVFDJADMJH-OAHLLOKOSA-N 1 2 421.360 4.178 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000431473146 858632894 /nfs/dbraw/zinc/63/28/94/858632894.db2.gz UBUSOCZOICCLKJ-FDFHNCONSA-N 1 2 412.484 4.444 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000431473146 858632909 /nfs/dbraw/zinc/63/29/09/858632909.db2.gz UBUSOCZOICCLKJ-FDFHNCONSA-N 1 2 412.484 4.444 20 30 HIEDLO N#CCCC[C@@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccccc1 ZINC000433013597 859478322 /nfs/dbraw/zinc/47/83/22/859478322.db2.gz YHIJIVZRJPYXIF-LJQANCHMSA-N 1 2 423.517 4.132 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000433246103 859588728 /nfs/dbraw/zinc/58/87/28/859588728.db2.gz YGSFWWJAERRXIB-UHFFFAOYSA-N 1 2 403.885 4.256 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000433246103 859588738 /nfs/dbraw/zinc/58/87/38/859588738.db2.gz YGSFWWJAERRXIB-UHFFFAOYSA-N 1 2 403.885 4.256 20 30 HIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433265919 859603016 /nfs/dbraw/zinc/60/30/16/859603016.db2.gz PAQFYUVBRHCJBX-UHFFFAOYSA-N 1 2 407.518 4.290 20 30 HIEDLO N#Cc1cccc(C2(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)CC2)c1 ZINC000435183373 860683460 /nfs/dbraw/zinc/68/34/60/860683460.db2.gz ZOPJFDQVGLFSQE-UHFFFAOYSA-N 1 2 414.534 4.243 20 30 HIEDLO N#Cc1cccc(C2(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)CC2)c1 ZINC000435183373 860683462 /nfs/dbraw/zinc/68/34/62/860683462.db2.gz ZOPJFDQVGLFSQE-UHFFFAOYSA-N 1 2 414.534 4.243 20 30 HIEDLO N#CCSc1cccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000435333899 860745148 /nfs/dbraw/zinc/74/51/48/860745148.db2.gz UWGCSYHLLQQGNB-UHFFFAOYSA-N 1 2 410.930 4.495 20 30 HIEDLO C[C@H](c1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000438009432 863370063 /nfs/dbraw/zinc/37/00/63/863370063.db2.gz IVARTWXQRWOTNS-VEXUSMLFSA-N 1 2 418.541 4.383 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(CC(F)(F)F)c3)CC2)cc1 ZINC000438530584 863955751 /nfs/dbraw/zinc/95/57/51/863955751.db2.gz GOSQXAOQKOREPW-UHFFFAOYSA-N 1 2 402.420 4.013 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3CC(F)(F)F)CC2)cc1 ZINC000438608291 864034740 /nfs/dbraw/zinc/03/47/40/864034740.db2.gz WGJZWUXPQZMSMD-UHFFFAOYSA-N 1 2 402.420 4.013 20 30 HIEDLO O=C(NC1CC1)c1ccc(C[N@H+](CC#Cc2ccc(F)cc2)Cc2ccco2)cc1 ZINC000438691520 864158112 /nfs/dbraw/zinc/15/81/12/864158112.db2.gz FYFGNRUPZNMSES-UHFFFAOYSA-N 1 2 402.469 4.365 20 30 HIEDLO O=C(NC1CC1)c1ccc(C[N@@H+](CC#Cc2ccc(F)cc2)Cc2ccco2)cc1 ZINC000438691520 864158124 /nfs/dbraw/zinc/15/81/24/864158124.db2.gz FYFGNRUPZNMSES-UHFFFAOYSA-N 1 2 402.469 4.365 20 30 HIEDLO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(C#N)cc4Cl)CC3)cc2NC1=O ZINC000439461291 864840956 /nfs/dbraw/zinc/84/09/56/864840956.db2.gz ZRBUKDJAOCADBP-CQSZACIVSA-N 1 2 423.900 4.026 20 30 HIEDLO N#CC1CCC(CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000440993511 866070005 /nfs/dbraw/zinc/07/00/05/866070005.db2.gz WEWBHNFJJLYNTF-LADRWXRNSA-N 1 2 406.933 4.245 20 30 HIEDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cs1 ZINC000444252307 868699627 /nfs/dbraw/zinc/69/96/27/868699627.db2.gz ZRIAXLUVHDIMTM-ZDUSSCGKSA-N 1 2 418.588 4.123 20 30 HIEDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cs1 ZINC000444252307 868699633 /nfs/dbraw/zinc/69/96/33/868699633.db2.gz ZRIAXLUVHDIMTM-ZDUSSCGKSA-N 1 2 418.588 4.123 20 30 HIEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000444602176 868899116 /nfs/dbraw/zinc/89/91/16/868899116.db2.gz YUITWFJUXUVSIQ-UHFFFAOYSA-N 1 2 418.390 4.020 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000444677671 868955307 /nfs/dbraw/zinc/95/53/07/868955307.db2.gz QDFPAVCDZFRKOF-IBGZPJMESA-N 1 2 402.523 4.463 20 30 HIEDLO C=CC[C@H]1[N@@H+](Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CCCC1(C)C ZINC000444774636 868996126 /nfs/dbraw/zinc/99/61/26/868996126.db2.gz JVUIYIDYOTUTNW-QGZVFWFLSA-N 1 2 402.539 4.174 20 30 HIEDLO C=CC[C@H]1[N@H+](Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CCCC1(C)C ZINC000444774636 868996133 /nfs/dbraw/zinc/99/61/33/868996133.db2.gz JVUIYIDYOTUTNW-QGZVFWFLSA-N 1 2 402.539 4.174 20 30 HIEDLO N#Cc1ccc(Oc2cccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)c2)cc1 ZINC000445815073 869837287 /nfs/dbraw/zinc/83/72/87/869837287.db2.gz GNYORYIFZKKPDT-GHTZIAJQSA-N 1 2 402.454 4.326 20 30 HIEDLO N#Cc1ccc(Oc2cccc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)c2)cc1 ZINC000445815073 869837288 /nfs/dbraw/zinc/83/72/88/869837288.db2.gz GNYORYIFZKKPDT-GHTZIAJQSA-N 1 2 402.454 4.326 20 30 HIEDLO N#Cc1cc(F)c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(F)c1 ZINC000445831266 869850427 /nfs/dbraw/zinc/85/04/27/869850427.db2.gz AUMJMYOUPWCGQK-QGZVFWFLSA-N 1 2 407.823 4.196 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1C#N ZINC000460354684 872976272 /nfs/dbraw/zinc/97/62/72/872976272.db2.gz AUXLYLPNQONSGN-OPAMFIHVSA-N 1 2 417.513 4.035 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1C#N ZINC000460354684 872976301 /nfs/dbraw/zinc/97/63/01/872976301.db2.gz AUXLYLPNQONSGN-OPAMFIHVSA-N 1 2 417.513 4.035 20 30 HIEDLO N#Cc1ccc(F)cc1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000468868874 882899083 /nfs/dbraw/zinc/89/90/83/882899083.db2.gz IEHXLTNFIBOWEU-UHFFFAOYSA-N 1 2 407.518 4.225 20 30 HIEDLO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1csc(-c2ccccc2F)n1 ZINC000462820071 875860744 /nfs/dbraw/zinc/86/07/44/875860744.db2.gz VGEUQCJBYNYMCF-YWZLYKJASA-N 1 2 420.513 4.273 20 30 HIEDLO CC#CCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000464557284 877775485 /nfs/dbraw/zinc/77/54/85/877775485.db2.gz MZCZSGDHYXOALR-UHFFFAOYSA-N 1 2 411.527 4.161 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000464846932 878120816 /nfs/dbraw/zinc/12/08/16/878120816.db2.gz BNEXJALDIANAMF-OXJNMPFZSA-N 1 2 412.534 4.018 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000464846932 878120819 /nfs/dbraw/zinc/12/08/19/878120819.db2.gz BNEXJALDIANAMF-OXJNMPFZSA-N 1 2 412.534 4.018 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000469300169 883398029 /nfs/dbraw/zinc/39/80/29/883398029.db2.gz SZHBZASBFLKADQ-OAHLLOKOSA-N 1 2 403.592 4.495 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000469381740 883519139 /nfs/dbraw/zinc/51/91/39/883519139.db2.gz QEJGPGDEXDTFDT-JPYJTQIMSA-N 1 2 400.482 4.057 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000469384876 883527634 /nfs/dbraw/zinc/52/76/34/883527634.db2.gz XJTFKNYOKFQESS-WZONZLPQSA-N 1 2 400.482 4.057 20 30 HIEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000469448554 883647403 /nfs/dbraw/zinc/64/74/03/883647403.db2.gz QPDXDFMGDDGMMA-GCJKJVERSA-N 1 2 416.529 4.000 20 30 HIEDLO CCCC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000503773212 912820325 /nfs/dbraw/zinc/82/03/25/912820325.db2.gz YAWMGDFGDNZBBL-XMMPIXPASA-N 1 2 420.557 4.326 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000471942931 886742562 /nfs/dbraw/zinc/74/25/62/886742562.db2.gz LTBNYTAUBUPNCL-FPOVZHCZSA-N 1 2 414.456 4.191 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000471942931 886742574 /nfs/dbraw/zinc/74/25/74/886742574.db2.gz LTBNYTAUBUPNCL-FPOVZHCZSA-N 1 2 414.456 4.191 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000471979873 886808570 /nfs/dbraw/zinc/80/85/70/886808570.db2.gz PRBUDUBCAYBPMN-ROUUACIJSA-N 1 2 424.373 4.422 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000471979873 886808571 /nfs/dbraw/zinc/80/85/71/886808571.db2.gz PRBUDUBCAYBPMN-ROUUACIJSA-N 1 2 424.373 4.422 20 30 HIEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000473183134 887962026 /nfs/dbraw/zinc/96/20/26/887962026.db2.gz GTIRPOZRVWEHCH-QUCCMNQESA-N 1 2 422.472 4.107 20 30 HIEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000473183134 887962027 /nfs/dbraw/zinc/96/20/27/887962027.db2.gz GTIRPOZRVWEHCH-QUCCMNQESA-N 1 2 422.472 4.107 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474153879 888985630 /nfs/dbraw/zinc/98/56/30/888985630.db2.gz MLGHWKAMOBGLNB-NHCUHLMSSA-N 1 2 411.908 4.334 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474153879 888985645 /nfs/dbraw/zinc/98/56/45/888985645.db2.gz MLGHWKAMOBGLNB-NHCUHLMSSA-N 1 2 411.908 4.334 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCc2c(cccc2C(C)C)C1 ZINC000475405380 890333599 /nfs/dbraw/zinc/33/35/99/890333599.db2.gz VEOPIERNLZFGAA-UHFFFAOYSA-N 1 2 422.573 4.133 20 30 HIEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000475405380 890333625 /nfs/dbraw/zinc/33/36/25/890333625.db2.gz VEOPIERNLZFGAA-UHFFFAOYSA-N 1 2 422.573 4.133 20 30 HIEDLO C=CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1nc2c(s1)CCCC2 ZINC000476136850 891059206 /nfs/dbraw/zinc/05/92/06/891059206.db2.gz GKFCOHBZXQCFKH-UHFFFAOYSA-N 1 2 402.470 4.177 20 30 HIEDLO C=C(C)[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC000476849674 891821781 /nfs/dbraw/zinc/82/17/81/891821781.db2.gz INWCMHBHJLMCTJ-OAQYLSRUSA-N 1 2 400.473 4.467 20 30 HIEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000505308686 913971295 /nfs/dbraw/zinc/97/12/95/913971295.db2.gz TXXIPACLILHMJB-YLJYHZDGSA-N 1 2 413.481 4.160 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c(Br)c1 ZINC000481052067 896375340 /nfs/dbraw/zinc/37/53/40/896375340.db2.gz HXVTXJJXDIFULQ-IBGZPJMESA-N 1 2 412.331 4.105 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c(Br)c1 ZINC000481052067 896375363 /nfs/dbraw/zinc/37/53/63/896375363.db2.gz HXVTXJJXDIFULQ-IBGZPJMESA-N 1 2 412.331 4.105 20 30 HIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000481066631 896387163 /nfs/dbraw/zinc/38/71/63/896387163.db2.gz CCMKLVZREFEVBJ-QGZVFWFLSA-N 1 2 411.937 4.443 20 30 HIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000481066631 896387183 /nfs/dbraw/zinc/38/71/83/896387183.db2.gz CCMKLVZREFEVBJ-QGZVFWFLSA-N 1 2 411.937 4.443 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481632090 897015569 /nfs/dbraw/zinc/01/55/69/897015569.db2.gz ZEZIWZVOVWUMPQ-UHFFFAOYSA-N 1 2 414.546 4.112 20 30 HIEDLO C[C@H](C#N)C[N@H+](CCOc1c(Br)cccc1Br)C1CC1 ZINC000482815692 898425552 /nfs/dbraw/zinc/42/55/52/898425552.db2.gz ZXWHTCGSXSMVPG-LLVKDONJSA-N 1 2 402.130 4.214 20 30 HIEDLO C[C@H](C#N)C[N@@H+](CCOc1c(Br)cccc1Br)C1CC1 ZINC000482815692 898425560 /nfs/dbraw/zinc/42/55/60/898425560.db2.gz ZXWHTCGSXSMVPG-LLVKDONJSA-N 1 2 402.130 4.214 20 30 HIEDLO N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)c2)cc1 ZINC000483433107 899064560 /nfs/dbraw/zinc/06/45/60/899064560.db2.gz BJEUHJSHLKPEHB-UHFFFAOYSA-N 1 2 413.477 4.435 20 30 HIEDLO N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000505612357 914316616 /nfs/dbraw/zinc/31/66/16/914316616.db2.gz MXMRXWDTFRGFPF-UHFFFAOYSA-N 1 2 410.437 4.385 20 30 HIEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1 ZINC000505692469 914382180 /nfs/dbraw/zinc/38/21/80/914382180.db2.gz VGIWUBFRQFUFEL-NRFANRHFSA-N 1 2 418.884 4.186 20 30 HIEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000505808993 914467770 /nfs/dbraw/zinc/46/77/70/914467770.db2.gz KVUOHHYSFSRNNL-SFHVURJKSA-N 1 2 403.442 4.073 20 30 HIEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cc(C#N)ccc2F)c2ccc(F)cc2)c1 ZINC000494020698 905361585 /nfs/dbraw/zinc/36/15/85/905361585.db2.gz OGPJRXRNUTYKSN-QFIPXVFZSA-N 1 2 412.461 4.119 20 30 HIEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)c(F)c2)c(C#N)c1C ZINC000494266721 905589129 /nfs/dbraw/zinc/58/91/29/905589129.db2.gz AKXBPPAEJVZGTD-NSHDSACASA-N 1 2 408.271 4.129 20 30 HIEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)c(F)c2)c(C#N)c1C ZINC000494266721 905589144 /nfs/dbraw/zinc/58/91/44/905589144.db2.gz AKXBPPAEJVZGTD-NSHDSACASA-N 1 2 408.271 4.129 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)c(F)c1 ZINC000512801982 921314227 /nfs/dbraw/zinc/31/42/27/921314227.db2.gz PSHXRSGMVRMGGJ-UHFFFAOYSA-N 1 2 414.278 4.375 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000512846135 921348681 /nfs/dbraw/zinc/34/86/81/921348681.db2.gz YBZLVFMINNEVCL-UHFFFAOYSA-N 1 2 421.394 4.198 20 30 HIEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000499950652 909054452 /nfs/dbraw/zinc/05/44/52/909054452.db2.gz REMRUIGXQAZTDY-SFHVURJKSA-N 1 2 405.395 4.064 20 30 HIEDLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502540506 911546039 /nfs/dbraw/zinc/54/60/39/911546039.db2.gz MRSWEANTECCMPQ-QGZVFWFLSA-N 1 2 416.550 4.304 20 30 HIEDLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502540506 911546057 /nfs/dbraw/zinc/54/60/57/911546057.db2.gz MRSWEANTECCMPQ-QGZVFWFLSA-N 1 2 416.550 4.304 20 30 HIEDLO Cc1nc(CN2CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)oc1C ZINC000513434808 921803977 /nfs/dbraw/zinc/80/39/77/921803977.db2.gz MGNPOCIBCVGWRG-UHFFFAOYSA-N 1 2 416.525 4.060 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507234281 915991312 /nfs/dbraw/zinc/99/13/12/915991312.db2.gz PZSUPOMQVISSGW-HRAATJIYSA-N 1 2 423.582 4.461 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507234281 915991338 /nfs/dbraw/zinc/99/13/38/915991338.db2.gz PZSUPOMQVISSGW-HRAATJIYSA-N 1 2 423.582 4.461 20 30 HIEDLO C=CCOc1c(Br)cc(C[NH+]2CCC(c3nc(C)no3)CC2)cc1OC ZINC000509376168 918043155 /nfs/dbraw/zinc/04/31/55/918043155.db2.gz ZRLARPLHXOCWPC-UHFFFAOYSA-N 1 2 422.323 4.094 20 30 HIEDLO COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)C[C@@H](C)C#N)cc1OC ZINC000509799925 918406676 /nfs/dbraw/zinc/40/66/76/918406676.db2.gz VAZVRGZBUUWUKG-SFHVURJKSA-N 1 2 404.514 4.207 20 30 HIEDLO COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)C[C@@H](C)C#N)cc1OC ZINC000509799925 918406685 /nfs/dbraw/zinc/40/66/85/918406685.db2.gz VAZVRGZBUUWUKG-SFHVURJKSA-N 1 2 404.514 4.207 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cc(Br)cs1 ZINC000510077517 918646194 /nfs/dbraw/zinc/64/61/94/918646194.db2.gz RYZCVSIRJDGZOD-SNVBAGLBSA-N 1 2 424.389 4.391 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cc(Br)cs1 ZINC000510077517 918646200 /nfs/dbraw/zinc/64/62/00/918646200.db2.gz RYZCVSIRJDGZOD-SNVBAGLBSA-N 1 2 424.389 4.391 20 30 HIEDLO C=CCOc1c(Br)cc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000510524781 918970848 /nfs/dbraw/zinc/97/08/48/918970848.db2.gz QNMKAFPRNDWOBY-HNNXBMFYSA-N 1 2 406.324 4.125 20 30 HIEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C(F)(F)F ZINC000511190172 919808756 /nfs/dbraw/zinc/80/87/56/919808756.db2.gz RBRRRJHSKQBTFQ-UHFFFAOYSA-N 1 2 402.420 4.235 20 30 HIEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](CCO)c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000512193213 920938337 /nfs/dbraw/zinc/93/83/37/920938337.db2.gz CVTORMJECPMVON-KRWDZBQOSA-N 1 2 403.269 4.128 20 30 HIEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc(OC)c1O ZINC000513736783 922057625 /nfs/dbraw/zinc/05/76/25/922057625.db2.gz LTUXQOYEHQCQEB-HXUWFJFHSA-N 1 2 405.441 4.304 20 30 HIEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc(OC)c1O ZINC000513736783 922057644 /nfs/dbraw/zinc/05/76/44/922057644.db2.gz LTUXQOYEHQCQEB-HXUWFJFHSA-N 1 2 405.441 4.304 20 30 HIEDLO C[C@H](c1cccc(NC(=O)NCCSCc2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC000519200465 927824089 /nfs/dbraw/zinc/82/40/89/927824089.db2.gz LVRWXEPCDFCWIG-GOSISDBHSA-N 1 2 424.570 4.006 20 30 HIEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](c3cncc(Br)c3)C3CC3)o2)cc1 ZINC000519755013 928066709 /nfs/dbraw/zinc/06/67/09/928066709.db2.gz UCRIQVQEGLQNCZ-GOSISDBHSA-N 1 2 410.275 4.007 20 30 HIEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1C(F)(F)F ZINC000525010700 929972022 /nfs/dbraw/zinc/97/20/22/929972022.db2.gz GKWQDMWKRSPNAT-KRWDZBQOSA-N 1 2 415.459 4.415 20 30 HIEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000527481870 930665545 /nfs/dbraw/zinc/66/55/45/930665545.db2.gz AGVZWFPSMHWXKL-INIZCTEOSA-N 1 2 407.905 4.140 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530462362 930719811 /nfs/dbraw/zinc/71/98/11/930719811.db2.gz WLTAUSMEHJXKKE-AZUAARDMSA-N 1 2 402.420 4.127 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530462362 930719815 /nfs/dbraw/zinc/71/98/15/930719815.db2.gz WLTAUSMEHJXKKE-AZUAARDMSA-N 1 2 402.420 4.127 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(Oc2ccc(OC)cc2)CC1 ZINC000532918806 931693231 /nfs/dbraw/zinc/69/32/31/931693231.db2.gz BEHXJNKJBYXKFD-UHFFFAOYSA-N 1 2 412.555 4.455 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000533285212 931828400 /nfs/dbraw/zinc/82/84/00/931828400.db2.gz XFAQZKHKYMHFAY-LPHOPBHVSA-N 1 2 423.538 4.443 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000533285212 931828401 /nfs/dbraw/zinc/82/84/01/931828401.db2.gz XFAQZKHKYMHFAY-LPHOPBHVSA-N 1 2 423.538 4.443 20 30 HIEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000533483149 931881363 /nfs/dbraw/zinc/88/13/63/931881363.db2.gz DMJJWQOBHPHYIF-GOSISDBHSA-N 1 2 409.530 4.181 20 30 HIEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000533483149 931881364 /nfs/dbraw/zinc/88/13/64/931881364.db2.gz DMJJWQOBHPHYIF-GOSISDBHSA-N 1 2 409.530 4.181 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534421785 932440133 /nfs/dbraw/zinc/44/01/33/932440133.db2.gz ZJRDBDCSYXQUSX-UXHICEINSA-N 1 2 415.896 4.070 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534421785 932440141 /nfs/dbraw/zinc/44/01/41/932440141.db2.gz ZJRDBDCSYXQUSX-UXHICEINSA-N 1 2 415.896 4.070 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 ZINC000534436058 932448508 /nfs/dbraw/zinc/44/85/08/932448508.db2.gz LUOIWXWOMZUJPP-MRXNPFEDSA-N 1 2 406.873 4.367 20 30 HIEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535217099 933022041 /nfs/dbraw/zinc/02/20/41/933022041.db2.gz ZETMHTCYFOZSQI-FQEVSTJZSA-N 1 2 415.497 4.201 20 30 HIEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000563275515 945165628 /nfs/dbraw/zinc/16/56/28/945165628.db2.gz MGUDWSDUCSZKFN-AWEZNQCLSA-N 1 2 417.387 4.346 20 30 HIEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(OCc2ccccn2)c1 ZINC000538153306 938524408 /nfs/dbraw/zinc/52/44/08/938524408.db2.gz PNFBSYYDYOBMNT-QGZVFWFLSA-N 1 2 411.465 4.433 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)c1C#N ZINC000540323209 939194272 /nfs/dbraw/zinc/19/42/72/939194272.db2.gz CQWOQNOPQDXMQC-AWEZNQCLSA-N 1 2 412.440 4.185 20 30 HIEDLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000541642689 939583490 /nfs/dbraw/zinc/58/34/90/939583490.db2.gz OYPKAJHROWQECQ-IRXDYDNUSA-N 1 2 406.461 4.467 20 30 HIEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)s1 ZINC000541692020 939605322 /nfs/dbraw/zinc/60/53/22/939605322.db2.gz WICFDVBHUQVPFV-CQSZACIVSA-N 1 2 411.506 4.159 20 30 HIEDLO N#CCC1CCN(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000541916957 939653260 /nfs/dbraw/zinc/65/32/60/939653260.db2.gz URFVEJIZHOWKHD-UHFFFAOYSA-N 1 2 413.525 4.434 20 30 HIEDLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000543486851 940080088 /nfs/dbraw/zinc/08/00/88/940080088.db2.gz YKEPPNHZENZVRQ-WMLDXEAASA-N 1 2 401.532 4.032 20 30 HIEDLO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)c1nccs1 ZINC000544414572 940417028 /nfs/dbraw/zinc/41/70/28/940417028.db2.gz ATGZCYXDFOKGJP-IBGZPJMESA-N 1 2 419.554 4.364 20 30 HIEDLO C=CCOc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1OC ZINC000544926793 940526007 /nfs/dbraw/zinc/52/60/07/940526007.db2.gz MHMXFEWJRHHIIQ-UHFFFAOYSA-N 1 2 403.526 4.258 20 30 HIEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000550078606 941281064 /nfs/dbraw/zinc/28/10/64/941281064.db2.gz CSCGGESZMYFUDP-ICSRJNTNSA-N 1 2 417.347 4.149 20 30 HIEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000550078606 941281067 /nfs/dbraw/zinc/28/10/67/941281067.db2.gz CSCGGESZMYFUDP-ICSRJNTNSA-N 1 2 417.347 4.149 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3[nH]c4ccc(F)cc4c3C1)CCC2 ZINC000552526320 941696697 /nfs/dbraw/zinc/69/66/97/941696697.db2.gz WJIXOSDOKLFBAN-UHFFFAOYSA-N 1 2 408.502 4.116 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3[nH]c4ccc(F)cc4c3C1)CCC2 ZINC000552526320 941696699 /nfs/dbraw/zinc/69/66/99/941696699.db2.gz WJIXOSDOKLFBAN-UHFFFAOYSA-N 1 2 408.502 4.116 20 30 HIEDLO N#Cc1cc(Br)ccc1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000553867967 941987534 /nfs/dbraw/zinc/98/75/34/941987534.db2.gz CVZMMXLQXRNZNL-UHFFFAOYSA-N 1 2 424.342 4.378 20 30 HIEDLO N#Cc1cc(Br)ccc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000553867967 941987535 /nfs/dbraw/zinc/98/75/35/941987535.db2.gz CVZMMXLQXRNZNL-UHFFFAOYSA-N 1 2 424.342 4.378 20 30 HIEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1cccc2ccccc21 ZINC000558628931 943621627 /nfs/dbraw/zinc/62/16/27/943621627.db2.gz IMQHRAYZUNZPQN-UXHICEINSA-N 1 2 412.537 4.358 20 30 HIEDLO Cc1ccc([C@H](CNc2cc(C)c(C#N)c3nc4ccccc4n32)[NH+]2CCOCC2)o1 ZINC000561106904 944455691 /nfs/dbraw/zinc/45/56/91/944455691.db2.gz HSOOPGAZTKJHOH-NRFANRHFSA-N 1 2 415.497 4.054 20 30 HIEDLO Cc1ccc([C@@H](CNc2cc(C)c(C#N)c3nc4ccccc4n32)[NH+]2CCOCC2)o1 ZINC000561106908 944456282 /nfs/dbraw/zinc/45/62/82/944456282.db2.gz HSOOPGAZTKJHOH-OAQYLSRUSA-N 1 2 415.497 4.054 20 30 HIEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000561876855 944833423 /nfs/dbraw/zinc/83/34/23/944833423.db2.gz JSJHVKFNLAUVPN-UHFFFAOYSA-N 1 2 401.514 4.171 20 30 HIEDLO C=CC[N@H+](Cc1cscc1Br)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000565449187 945832633 /nfs/dbraw/zinc/83/26/33/945832633.db2.gz HCKJTLDGDNINKK-ZDUSSCGKSA-N 1 2 404.337 4.236 20 30 HIEDLO C=CC[N@@H+](Cc1cscc1Br)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000565449187 945832638 /nfs/dbraw/zinc/83/26/38/945832638.db2.gz HCKJTLDGDNINKK-ZDUSSCGKSA-N 1 2 404.337 4.236 20 30 HIEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000573532715 948233871 /nfs/dbraw/zinc/23/38/71/948233871.db2.gz AURTWWJDLFHGQJ-DHIUTWEWSA-N 1 2 413.525 4.168 20 30 HIEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000573532715 948233881 /nfs/dbraw/zinc/23/38/81/948233881.db2.gz AURTWWJDLFHGQJ-DHIUTWEWSA-N 1 2 413.525 4.168 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(F)(F)F)c1 ZINC000576021044 948811372 /nfs/dbraw/zinc/81/13/72/948811372.db2.gz NXLYGAWLQZGYFT-UHFFFAOYSA-N 1 2 405.395 4.064 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(F)(F)F)c1 ZINC000576021044 948811373 /nfs/dbraw/zinc/81/13/73/948811373.db2.gz NXLYGAWLQZGYFT-UHFFFAOYSA-N 1 2 405.395 4.064 20 30 HIEDLO N#Cc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc2ccccc12 ZINC001164671681 719522194 /nfs/dbraw/zinc/52/21/94/719522194.db2.gz HCWALEUOUPIXQN-UHFFFAOYSA-N 1 2 416.500 4.117 20 30 HIEDLO N#Cc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc2ccccc12 ZINC001164671681 719522203 /nfs/dbraw/zinc/52/22/03/719522203.db2.gz HCWALEUOUPIXQN-UHFFFAOYSA-N 1 2 416.500 4.117 20 30 HIEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436161341 861462279 /nfs/dbraw/zinc/46/22/79/861462279.db2.gz NVKDOFMFEPPAKD-UHFFFAOYSA-N 1 2 415.497 4.047 20 30 HIEDLO C[C@H](c1nnc(SCCOc2ccc(C#N)cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000022718581 846609822 /nfs/dbraw/zinc/60/98/22/846609822.db2.gz XXIKHKRCGRJPTH-OAHLLOKOSA-N 1 2 411.506 4.072 20 30 HIEDLO Cc1nc(-c2cccs2)sc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023753362 846745837 /nfs/dbraw/zinc/74/58/37/846745837.db2.gz JFHBCHIFGKOHCC-UHFFFAOYSA-N 1 2 422.579 4.400 20 30 HIEDLO Cc1nc(-c2cccs2)sc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023753362 846745843 /nfs/dbraw/zinc/74/58/43/846745843.db2.gz JFHBCHIFGKOHCC-UHFFFAOYSA-N 1 2 422.579 4.400 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)Cc1ccccc1 ZINC000027777533 847351462 /nfs/dbraw/zinc/35/14/62/847351462.db2.gz QKFDCFDBTYPTSD-UHFFFAOYSA-N 1 2 407.297 4.407 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)Cc1ccccc1 ZINC000027777533 847351468 /nfs/dbraw/zinc/35/14/68/847351468.db2.gz QKFDCFDBTYPTSD-UHFFFAOYSA-N 1 2 407.297 4.407 20 30 HIEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051050133 849429476 /nfs/dbraw/zinc/42/94/76/849429476.db2.gz WSKMQWVSGUVMCO-HUUCEWRRSA-N 1 2 404.536 4.008 20 30 HIEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051050133 849429480 /nfs/dbraw/zinc/42/94/80/849429480.db2.gz WSKMQWVSGUVMCO-HUUCEWRRSA-N 1 2 404.536 4.008 20 30 HIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000056800253 850486244 /nfs/dbraw/zinc/48/62/44/850486244.db2.gz OKRJVBWGQZVTKZ-UHFFFAOYSA-N 1 2 413.481 4.408 20 30 HIEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000060468825 851110006 /nfs/dbraw/zinc/11/00/06/851110006.db2.gz BXBZGUUUPBHFNR-UHFFFAOYSA-N 1 2 404.539 4.306 20 30 HIEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000060468825 851110012 /nfs/dbraw/zinc/11/00/12/851110012.db2.gz BXBZGUUUPBHFNR-UHFFFAOYSA-N 1 2 404.539 4.306 20 30 HIEDLO N#Cc1ccc(N2CC[NH+]([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)CC2)nc1 ZINC000060481241 851113693 /nfs/dbraw/zinc/11/36/93/851113693.db2.gz GBYFJPBAKGOKKJ-VWLOTQADSA-N 1 2 421.504 4.181 20 30 HIEDLO C=CC[N@H+](CC(=O)NCc1ccccc1OC1CCCC1)Cc1cccc(C#N)c1 ZINC000063299779 851654298 /nfs/dbraw/zinc/65/42/98/851654298.db2.gz WCVQJYHMNFEUDT-UHFFFAOYSA-N 1 2 403.526 4.184 20 30 HIEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1OC1CCCC1)Cc1cccc(C#N)c1 ZINC000063299779 851654306 /nfs/dbraw/zinc/65/43/06/851654306.db2.gz WCVQJYHMNFEUDT-UHFFFAOYSA-N 1 2 403.526 4.184 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1cccc(C#N)c1 ZINC000063300760 851654818 /nfs/dbraw/zinc/65/48/18/851654818.db2.gz VFNYJFLUGZQACR-UHFFFAOYSA-N 1 2 402.267 4.087 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1cccc(C#N)c1 ZINC000063300760 851654821 /nfs/dbraw/zinc/65/48/21/851654821.db2.gz VFNYJFLUGZQACR-UHFFFAOYSA-N 1 2 402.267 4.087 20 30 HIEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CCCO1 ZINC000437162429 862356134 /nfs/dbraw/zinc/35/61/34/862356134.db2.gz YPGVNUWPXJQLTR-LJQANCHMSA-N 1 2 402.441 4.349 20 30 HIEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CCCO1 ZINC000437162429 862356153 /nfs/dbraw/zinc/35/61/53/862356153.db2.gz YPGVNUWPXJQLTR-LJQANCHMSA-N 1 2 402.441 4.349 20 30 HIEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3nc(-c4cccs4)oc3C)c2)n1 ZINC000072073222 852497134 /nfs/dbraw/zinc/49/71/34/852497134.db2.gz WTSUPXBZADKZOI-UHFFFAOYSA-N 1 2 421.526 4.410 20 30 HIEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000108955375 852898389 /nfs/dbraw/zinc/89/83/89/852898389.db2.gz BJYCBIVZNZVVAN-KRWDZBQOSA-N 1 2 415.459 4.415 20 30 HIEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000113176994 853240464 /nfs/dbraw/zinc/24/04/64/853240464.db2.gz DJYBKHNYWABEJV-OAHLLOKOSA-N 1 2 417.340 4.404 20 30 HIEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000113176994 853240474 /nfs/dbraw/zinc/24/04/74/853240474.db2.gz DJYBKHNYWABEJV-OAHLLOKOSA-N 1 2 417.340 4.404 20 30 HIEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cc(C#N)cs2)c2ccc(F)c(F)c2)c1 ZINC000237466629 854037745 /nfs/dbraw/zinc/03/77/45/854037745.db2.gz FEVCFBJGNQJLOB-HXUWFJFHSA-N 1 2 418.490 4.181 20 30 HIEDLO Cc1cc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)n2c3ccccc3nc2c1C#N ZINC000301135228 854307482 /nfs/dbraw/zinc/30/74/82/854307482.db2.gz ZDMHJTDPOXFVGS-UHFFFAOYSA-N 1 2 424.508 4.113 20 30 HIEDLO Cc1cc(N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000302207636 854549612 /nfs/dbraw/zinc/54/96/12/854549612.db2.gz XHGZAXGSHXPKQF-GOSISDBHSA-N 1 2 414.351 4.058 20 30 HIEDLO N#Cc1c(NC(=O)C[N@@H+]2CCCN(c3ccccc3)CC2)sc2c1CCCCC2 ZINC000302933154 854685919 /nfs/dbraw/zinc/68/59/19/854685919.db2.gz DWJXDCQRFMIJPG-UHFFFAOYSA-N 1 2 408.571 4.039 20 30 HIEDLO N#Cc1c(NC(=O)C[N@H+]2CCCN(c3ccccc3)CC2)sc2c1CCCCC2 ZINC000302933154 854685923 /nfs/dbraw/zinc/68/59/23/854685923.db2.gz DWJXDCQRFMIJPG-UHFFFAOYSA-N 1 2 408.571 4.039 20 30 HIEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000303229254 854826813 /nfs/dbraw/zinc/82/68/13/854826813.db2.gz XYQLVAOUFQYVRN-FQEVSTJZSA-N 1 2 420.557 4.243 20 30 HIEDLO N#C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000303645134 855100276 /nfs/dbraw/zinc/10/02/76/855100276.db2.gz CGTNIPSGOUQCMO-DEOSSOPVSA-N 1 2 408.461 4.446 20 30 HIEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409485752 855504666 /nfs/dbraw/zinc/50/46/66/855504666.db2.gz OVQBZTXRCRKNDR-INIZCTEOSA-N 1 2 401.432 4.025 20 30 HIEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000426086366 856097977 /nfs/dbraw/zinc/09/79/77/856097977.db2.gz SFIWFVKFOUGFFZ-UHFFFAOYSA-N 1 2 407.449 4.027 20 30 HIEDLO CC(C)(C)C(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000428851366 857371918 /nfs/dbraw/zinc/37/19/18/857371918.db2.gz RJSPHANKHHISLQ-UHFFFAOYSA-N 1 2 404.514 4.137 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(c3ncccc3Cl)CC2)c1C ZINC000429215948 857558728 /nfs/dbraw/zinc/55/87/28/857558728.db2.gz NTHADCDQGIEVGG-UHFFFAOYSA-N 1 2 410.949 4.478 20 30 HIEDLO Cc1sc(NC(=O)C[N@H+](CCc2ccccc2)Cc2cccnc2)c(C#N)c1C ZINC000429281394 857588858 /nfs/dbraw/zinc/58/88/58/857588858.db2.gz BQRZJDPSRHZAOI-UHFFFAOYSA-N 1 2 404.539 4.315 20 30 HIEDLO Cc1sc(NC(=O)C[N@@H+](CCc2ccccc2)Cc2cccnc2)c(C#N)c1C ZINC000429281394 857588867 /nfs/dbraw/zinc/58/88/67/857588867.db2.gz BQRZJDPSRHZAOI-UHFFFAOYSA-N 1 2 404.539 4.315 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431473150 858633335 /nfs/dbraw/zinc/63/33/35/858633335.db2.gz UBUSOCZOICCLKJ-FSSWDIPSSA-N 1 2 412.484 4.444 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431473150 858633341 /nfs/dbraw/zinc/63/33/41/858633341.db2.gz UBUSOCZOICCLKJ-FSSWDIPSSA-N 1 2 412.484 4.444 20 30 HIEDLO C=CCOc1c(Br)cc(CN(C)Cc2cn3c([nH+]2)CCCC3)cc1OC ZINC000432799435 859366414 /nfs/dbraw/zinc/36/64/14/859366414.db2.gz XLPXFXAVSOZRFQ-UHFFFAOYSA-N 1 2 420.351 4.187 20 30 HIEDLO N#CCCC[C@@H]([NH2+]Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)c1ccccc1 ZINC000433012683 859477568 /nfs/dbraw/zinc/47/75/68/859477568.db2.gz UQVUREMUJAYUEH-GOSISDBHSA-N 1 2 409.490 4.454 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H]4CCN(c5sccc5C#N)C4=O)CC3)c2c1 ZINC000434836738 860514372 /nfs/dbraw/zinc/51/43/72/860514372.db2.gz PGURMCPWHLLBQE-NRFANRHFSA-N 1 2 418.522 4.004 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H]4CCN(c5sccc5C#N)C4=O)CC3)c2c1 ZINC000434836738 860514379 /nfs/dbraw/zinc/51/43/79/860514379.db2.gz PGURMCPWHLLBQE-NRFANRHFSA-N 1 2 418.522 4.004 20 30 HIEDLO N#Cc1c(NC(=O)C[NH+]2CCC(OCC3CCCC3)CC2)sc2c1CCCCC2 ZINC000434896470 860542310 /nfs/dbraw/zinc/54/23/10/860542310.db2.gz OUVMWSHMMZZWMB-UHFFFAOYSA-N 1 2 415.603 4.498 20 30 HIEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)ccc1OCC(F)(F)F ZINC000434979031 860584053 /nfs/dbraw/zinc/58/40/53/860584053.db2.gz QPONGTCFSHZTQX-LJQANCHMSA-N 1 2 419.447 4.019 20 30 HIEDLO COc1ccc(C#N)cc1CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000435139705 860661086 /nfs/dbraw/zinc/66/10/86/860661086.db2.gz FBMQFKXORSEEQN-UHFFFAOYSA-N 1 2 419.554 4.426 20 30 HIEDLO C[C@@H](c1cccc(NC(=O)Nc2cccc(OCCCC#N)c2)c1)[NH+]1CCOCC1 ZINC000503232432 912213235 /nfs/dbraw/zinc/21/32/35/912213235.db2.gz NJYHDZATVXBJDW-SFHVURJKSA-N 1 2 408.502 4.406 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)CC2)cc1 ZINC000438649746 864089220 /nfs/dbraw/zinc/08/92/20/864089220.db2.gz WCAPDZRUKBZGAG-UHFFFAOYSA-N 1 2 422.504 4.368 20 30 HIEDLO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000438922167 864401756 /nfs/dbraw/zinc/40/17/56/864401756.db2.gz YAMPYODOHQKMOT-HXUWFJFHSA-N 1 2 404.558 4.281 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(Cl)c(Cl)cc3F)CC2)cc1 ZINC000439954235 865247995 /nfs/dbraw/zinc/24/79/95/865247995.db2.gz RCOXSBHYTVCFJV-UHFFFAOYSA-N 1 2 407.276 4.354 20 30 HIEDLO CCCc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cnn1-c1cccc(C#N)c1 ZINC000440068458 865337002 /nfs/dbraw/zinc/33/70/02/865337002.db2.gz HGKQVXRXNCFFSJ-GOSISDBHSA-N 1 2 413.525 4.082 20 30 HIEDLO CCCc1c(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cnn1-c1cccc(C#N)c1 ZINC000440068458 865337018 /nfs/dbraw/zinc/33/70/18/865337018.db2.gz HGKQVXRXNCFFSJ-GOSISDBHSA-N 1 2 413.525 4.082 20 30 HIEDLO N#Cc1ccc(-c2nnc(C[N@@H+](CCCO)Cc3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000441391540 866463266 /nfs/dbraw/zinc/46/32/66/866463266.db2.gz BBRLYTGTZOFJBX-UHFFFAOYSA-N 1 2 417.296 4.300 20 30 HIEDLO N#Cc1ccc(-c2nnc(C[N@H+](CCCO)Cc3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000441391540 866463278 /nfs/dbraw/zinc/46/32/78/866463278.db2.gz BBRLYTGTZOFJBX-UHFFFAOYSA-N 1 2 417.296 4.300 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCC1CCC(C#N)CC1 ZINC000442731841 867654021 /nfs/dbraw/zinc/65/40/21/867654021.db2.gz WHLZIGKUYRPJGN-UHFFFAOYSA-N 1 2 423.561 4.214 20 30 HIEDLO N#CCCCn1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c2ccccc21 ZINC000444028853 868561299 /nfs/dbraw/zinc/56/12/99/868561299.db2.gz HYAPVNXNHZIMPL-UHFFFAOYSA-N 1 2 401.514 4.260 20 30 HIEDLO C=CCN(C(=O)C1CC[NH+](Cc2csc(C)n2)CC1)c1nc2c(s1)CCCC2 ZINC000444460367 868837111 /nfs/dbraw/zinc/83/71/11/868837111.db2.gz JVILBOQGJRHHOF-UHFFFAOYSA-N 1 2 416.616 4.218 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000444677675 868954799 /nfs/dbraw/zinc/95/47/99/868954799.db2.gz QDFPAVCDZFRKOF-LJQANCHMSA-N 1 2 402.523 4.463 20 30 HIEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444681520 868956522 /nfs/dbraw/zinc/95/65/22/868956522.db2.gz QSTPVLOIAKEMKV-HXUWFJFHSA-N 1 2 400.482 4.412 20 30 HIEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000447343504 871244066 /nfs/dbraw/zinc/24/40/66/871244066.db2.gz YDVVKQIPCLZRBX-IVZQSRNASA-N 1 2 417.525 4.374 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000462185645 875286709 /nfs/dbraw/zinc/28/67/09/875286709.db2.gz CWYZRJULAKKACK-HSZRJFAPSA-N 1 2 414.933 4.215 20 30 HIEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000463094379 876127956 /nfs/dbraw/zinc/12/79/56/876127956.db2.gz APVKNPCWNNRLFF-QGZVFWFLSA-N 1 2 418.522 4.326 20 30 HIEDLO CSc1nc(C2CC2)cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1C#N ZINC000463212863 876271696 /nfs/dbraw/zinc/27/16/96/876271696.db2.gz KIZQQXYTFMOIDC-CQSZACIVSA-N 1 2 412.584 4.133 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)c1C#N ZINC000464776110 878019681 /nfs/dbraw/zinc/01/96/81/878019681.db2.gz RNGYWVQKYZYSLP-UHFFFAOYSA-N 1 2 422.426 4.318 20 30 HIEDLO CCC[C@@H](CCc1ccccc1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000466046304 879735042 /nfs/dbraw/zinc/73/50/42/879735042.db2.gz FKZZOJIKMVXWAC-DEOSSOPVSA-N 1 2 404.558 4.187 20 30 HIEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O ZINC000467511959 881325480 /nfs/dbraw/zinc/32/54/80/881325480.db2.gz MKMQUVNGMUSFJF-QGZVFWFLSA-N 1 2 415.877 4.259 20 30 HIEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O ZINC000467511959 881325500 /nfs/dbraw/zinc/32/55/00/881325500.db2.gz MKMQUVNGMUSFJF-QGZVFWFLSA-N 1 2 415.877 4.259 20 30 HIEDLO C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469383647 883521296 /nfs/dbraw/zinc/52/12/96/883521296.db2.gz KVAKZVBPXJQOFA-MBSDFSHPSA-N 1 2 400.482 4.465 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000469390795 883542668 /nfs/dbraw/zinc/54/26/68/883542668.db2.gz KLVBHZXCLUHXFP-WZONZLPQSA-N 1 2 400.482 4.057 20 30 HIEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)c1cccc(Cl)c1 ZINC000469463851 883678564 /nfs/dbraw/zinc/67/85/64/883678564.db2.gz ATCAUTLYIBZIDG-OAHLLOKOSA-N 1 2 403.860 4.354 20 30 HIEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)c1cccc(Cl)c1 ZINC000469463851 883678587 /nfs/dbraw/zinc/67/85/87/883678587.db2.gz ATCAUTLYIBZIDG-OAHLLOKOSA-N 1 2 403.860 4.354 20 30 HIEDLO N#Cc1ccc(C2=CCN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CC2)cc1 ZINC000503641147 912744367 /nfs/dbraw/zinc/74/43/67/912744367.db2.gz CIQWSXWMRLGRCV-UHFFFAOYSA-N 1 2 407.543 4.322 20 30 HIEDLO Cc1cc([C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c2ccccc2Cl)ccc1F ZINC000470542480 884948597 /nfs/dbraw/zinc/94/85/97/884948597.db2.gz OLQNYJMAPRPSEA-QFIPXVFZSA-N 1 2 412.896 4.122 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000471942933 886743732 /nfs/dbraw/zinc/74/37/32/886743732.db2.gz LTBNYTAUBUPNCL-TZIWHRDSSA-N 1 2 414.456 4.191 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000471942933 886743745 /nfs/dbraw/zinc/74/37/45/886743745.db2.gz LTBNYTAUBUPNCL-TZIWHRDSSA-N 1 2 414.456 4.191 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000472309687 887137757 /nfs/dbraw/zinc/13/77/57/887137757.db2.gz DPCFRAKIRAHIRA-MAUKXSAKSA-N 1 2 422.382 4.005 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000472309687 887137772 /nfs/dbraw/zinc/13/77/72/887137772.db2.gz DPCFRAKIRAHIRA-MAUKXSAKSA-N 1 2 422.382 4.005 20 30 HIEDLO Cc1ccc2[nH]c(C[NH+]3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2c1C ZINC000473147290 887928343 /nfs/dbraw/zinc/92/83/43/887928343.db2.gz CVUZTGPLJNQDTF-UHFFFAOYSA-N 1 2 401.470 4.227 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000474959376 889813773 /nfs/dbraw/zinc/81/37/73/889813773.db2.gz GACYYBYTOPAJSK-UHFFFAOYSA-N 1 2 423.448 4.181 20 30 HIEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000475358472 890283559 /nfs/dbraw/zinc/28/35/59/890283559.db2.gz OESPJHAAYIINAQ-FQEVSTJZSA-N 1 2 409.946 4.241 20 30 HIEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000475376670 890307882 /nfs/dbraw/zinc/30/78/82/890307882.db2.gz MBPNTRLBVFWXGO-UHFFFAOYSA-N 1 2 413.456 4.257 20 30 HIEDLO C[C@@H]1CN(c2ccc(NCc3cccn3Cc3ccccc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000475436218 890355615 /nfs/dbraw/zinc/35/56/15/890355615.db2.gz ZCWKTBVQEQLNMG-RTBURBONSA-N 1 2 401.514 4.029 20 30 HIEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000475734406 890675001 /nfs/dbraw/zinc/67/50/01/890675001.db2.gz NOXZLOMZJWLINY-MRXNPFEDSA-N 1 2 409.433 4.041 20 30 HIEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000475734406 890675008 /nfs/dbraw/zinc/67/50/08/890675008.db2.gz NOXZLOMZJWLINY-MRXNPFEDSA-N 1 2 409.433 4.041 20 30 HIEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000479211125 894475655 /nfs/dbraw/zinc/47/56/55/894475655.db2.gz FEYDSJNSEUBXSD-GOSISDBHSA-N 1 2 400.482 4.179 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479861214 895196912 /nfs/dbraw/zinc/19/69/12/895196912.db2.gz YCHYJQPSLWXYIK-MSYGRNIXSA-N 1 2 424.495 4.191 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479861214 895196927 /nfs/dbraw/zinc/19/69/27/895196927.db2.gz YCHYJQPSLWXYIK-MSYGRNIXSA-N 1 2 424.495 4.191 20 30 HIEDLO Cc1ccc2c(ncc(C#N)c2N2CC[C@H](Oc3cc[nH+]cc3)C2)c1Br ZINC000480082435 895440432 /nfs/dbraw/zinc/44/04/32/895440432.db2.gz DLEYHGBSZUHACY-INIZCTEOSA-N 1 2 409.287 4.230 20 30 HIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000480758558 896120005 /nfs/dbraw/zinc/12/00/05/896120005.db2.gz DTSJNVONHJWIMJ-OAHLLOKOSA-N 1 2 400.885 4.384 20 30 HIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000480758558 896120019 /nfs/dbraw/zinc/12/00/19/896120019.db2.gz DTSJNVONHJWIMJ-OAHLLOKOSA-N 1 2 400.885 4.384 20 30 HIEDLO Cn1c2ccccc2nc1[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000481415702 896819769 /nfs/dbraw/zinc/81/97/69/896819769.db2.gz RJCPYWLXXKUGFW-RUZDIDTESA-N 1 2 423.520 4.199 20 30 HIEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)c2)cc1 ZINC000505467028 914138934 /nfs/dbraw/zinc/13/89/34/914138934.db2.gz CZEJNJBFXOAVQF-QHCPKHFHSA-N 1 2 401.441 4.276 20 30 HIEDLO C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000482239790 897721817 /nfs/dbraw/zinc/72/18/17/897721817.db2.gz FTHDOYPISOEEMO-VIFPVBQESA-N 1 2 415.309 4.499 20 30 HIEDLO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c1 ZINC000505528664 914220170 /nfs/dbraw/zinc/22/01/70/914220170.db2.gz BUGHHEOORFIYDS-OAQYLSRUSA-N 1 2 418.884 4.186 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1Cl ZINC000505571822 914278310 /nfs/dbraw/zinc/27/83/10/914278310.db2.gz DNJZEWDHFNDDGY-HXUWFJFHSA-N 1 2 418.884 4.186 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000483245815 898888277 /nfs/dbraw/zinc/88/82/77/898888277.db2.gz RIZIZTLUQADTKN-OAHLLOKOSA-N 1 2 407.436 4.099 20 30 HIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490265381 903864220 /nfs/dbraw/zinc/86/42/20/903864220.db2.gz ZQRNFLCCOVRCOQ-WIYYLYMNSA-N 1 2 414.456 4.191 20 30 HIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490265381 903864226 /nfs/dbraw/zinc/86/42/26/903864226.db2.gz ZQRNFLCCOVRCOQ-WIYYLYMNSA-N 1 2 414.456 4.191 20 30 HIEDLO COc1cc(Br)c(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1O ZINC000491089529 904419931 /nfs/dbraw/zinc/41/99/31/904419931.db2.gz GPDUVCKWVCXAAC-UHFFFAOYSA-N 1 2 417.303 4.078 20 30 HIEDLO Cc1cc([C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)ccc1F ZINC000491244242 904499783 /nfs/dbraw/zinc/49/97/83/904499783.db2.gz UGJALYGCXNITJR-HXUWFJFHSA-N 1 2 401.869 4.061 20 30 HIEDLO Cc1cc([C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)ccc1F ZINC000491244242 904499789 /nfs/dbraw/zinc/49/97/89/904499789.db2.gz UGJALYGCXNITJR-HXUWFJFHSA-N 1 2 401.869 4.061 20 30 HIEDLO C=C(C)C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccc(CO)o1 ZINC000512438600 921162931 /nfs/dbraw/zinc/16/29/31/921162931.db2.gz HMCXKUNCKOWHDK-RUZDIDTESA-N 1 2 402.343 4.265 20 30 HIEDLO C=C(C)C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccc(CO)o1 ZINC000512438600 921162934 /nfs/dbraw/zinc/16/29/34/921162934.db2.gz HMCXKUNCKOWHDK-RUZDIDTESA-N 1 2 402.343 4.265 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494650743 905883821 /nfs/dbraw/zinc/88/38/21/905883821.db2.gz PBLNTONFAYWSJT-WBVHZDCISA-N 1 2 401.576 4.107 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494650743 905883823 /nfs/dbraw/zinc/88/38/23/905883823.db2.gz PBLNTONFAYWSJT-WBVHZDCISA-N 1 2 401.576 4.107 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000512487250 921194981 /nfs/dbraw/zinc/19/49/81/921194981.db2.gz SGSKNOXMDFTHGR-IBGZPJMESA-N 1 2 409.313 4.262 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000512487250 921194994 /nfs/dbraw/zinc/19/49/94/921194994.db2.gz SGSKNOXMDFTHGR-IBGZPJMESA-N 1 2 409.313 4.262 20 30 HIEDLO Cc1csc(C2([NH2+]CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CCC2)n1 ZINC000494801733 906002430 /nfs/dbraw/zinc/00/24/30/906002430.db2.gz SSLJKBLCWUSLED-AWEZNQCLSA-N 1 2 400.573 4.311 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C(F)F)ccc3Cl)CC2)cc1 ZINC000497244643 906823812 /nfs/dbraw/zinc/82/38/12/906823812.db2.gz CGOUYVVQKJHQGT-UHFFFAOYSA-N 1 2 404.848 4.499 20 30 HIEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCc3ccccc3C2)Cc2cccc(F)c2)cc1 ZINC000497963807 907432156 /nfs/dbraw/zinc/43/21/56/907432156.db2.gz DQNGYLGELWDJMU-UHFFFAOYSA-N 1 2 413.496 4.284 20 30 HIEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCc3ccccc3C2)Cc2cccc(F)c2)cc1 ZINC000497963807 907432174 /nfs/dbraw/zinc/43/21/74/907432174.db2.gz DQNGYLGELWDJMU-UHFFFAOYSA-N 1 2 413.496 4.284 20 30 HIEDLO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512826580 921331938 /nfs/dbraw/zinc/33/19/38/921331938.db2.gz FMPGHZFCOGFXNT-OAHLLOKOSA-N 1 2 413.518 4.290 20 30 HIEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)c(F)c1 ZINC000512827756 921333336 /nfs/dbraw/zinc/33/33/36/921333336.db2.gz LCCGWNVVAHVYRJ-UHFFFAOYSA-N 1 2 404.445 4.323 20 30 HIEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC2)nc1 ZINC000498112894 907623833 /nfs/dbraw/zinc/62/38/33/907623833.db2.gz APJPGTGHRKYVEB-UHFFFAOYSA-N 1 2 401.495 4.145 20 30 HIEDLO Cc1cc(-c2noc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)n2)ccc1F ZINC000512845186 921349380 /nfs/dbraw/zinc/34/93/80/921349380.db2.gz RHVDUIXBTAAQSJ-UHFFFAOYSA-N 1 2 410.424 4.238 20 30 HIEDLO N#Cc1cccc(OCCN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000498904985 908314966 /nfs/dbraw/zinc/31/49/66/908314966.db2.gz MOKBFUQSTPZYOZ-UHFFFAOYSA-N 1 2 404.341 4.104 20 30 HIEDLO C=CCOc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000499169218 908521442 /nfs/dbraw/zinc/52/14/42/908521442.db2.gz MBVGWBBDINZANG-RTWAWAEBSA-N 1 2 415.921 4.098 20 30 HIEDLO C=CCOc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000499169218 908521453 /nfs/dbraw/zinc/52/14/53/908521453.db2.gz MBVGWBBDINZANG-RTWAWAEBSA-N 1 2 415.921 4.098 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000499739182 908895292 /nfs/dbraw/zinc/89/52/92/908895292.db2.gz OKQVZASKVPFISC-VQTJNVASSA-N 1 2 414.336 4.313 20 30 HIEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)C1 ZINC000500869103 910140660 /nfs/dbraw/zinc/14/06/60/910140660.db2.gz QFFQYKHAMDFTGO-HXUWFJFHSA-N 1 2 408.433 4.321 20 30 HIEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)C1 ZINC000500869103 910140670 /nfs/dbraw/zinc/14/06/70/910140670.db2.gz QFFQYKHAMDFTGO-HXUWFJFHSA-N 1 2 408.433 4.321 20 30 HIEDLO N#Cc1ccccc1OCc1cccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000513118459 921563398 /nfs/dbraw/zinc/56/33/98/921563398.db2.gz LCEOVNHUOZMNIC-UHFFFAOYSA-N 1 2 422.488 4.312 20 30 HIEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000513256022 921660775 /nfs/dbraw/zinc/66/07/75/921660775.db2.gz KGQZGWVTFJKSAL-RYUDHWBXSA-N 1 2 404.486 4.240 20 30 HIEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](C(=O)Nc3ccccc3)c3ccccc3)C2=O)cc1 ZINC000502638890 911671529 /nfs/dbraw/zinc/67/15/29/911671529.db2.gz ZLFSCFZHRWBPSN-ZEQRLZLVSA-N 1 2 424.504 4.023 20 30 HIEDLO C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000503226888 912208121 /nfs/dbraw/zinc/20/81/21/912208121.db2.gz SWLCPYOHOJFFDC-KRWDZBQOSA-N 1 2 423.517 4.031 20 30 HIEDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000506789317 915518261 /nfs/dbraw/zinc/51/82/61/915518261.db2.gz LOEDIKAPBBLOKX-UHFFFAOYSA-N 1 2 419.554 4.256 20 30 HIEDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000506789317 915518289 /nfs/dbraw/zinc/51/82/89/915518289.db2.gz LOEDIKAPBBLOKX-UHFFFAOYSA-N 1 2 419.554 4.256 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Oc4ccccn4)cc3)CC2)cc1 ZINC000506861117 915647239 /nfs/dbraw/zinc/64/72/39/915647239.db2.gz XIDNQEMFPCQQCM-UHFFFAOYSA-N 1 2 413.481 4.095 20 30 HIEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(Sc4ccccn4)o3)CC2)cc1 ZINC000507056520 915845657 /nfs/dbraw/zinc/84/56/57/915845657.db2.gz ZOVHOABQWJMLIM-UHFFFAOYSA-N 1 2 404.539 4.405 20 30 HIEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(Sc4ccccn4)o3)CC2)cc1 ZINC000507056520 915845660 /nfs/dbraw/zinc/84/56/60/915845660.db2.gz ZOVHOABQWJMLIM-UHFFFAOYSA-N 1 2 404.539 4.405 20 30 HIEDLO N#CCCCCNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000508400376 917192757 /nfs/dbraw/zinc/19/27/57/917192757.db2.gz IVESWJOIHBCMAT-QFIPXVFZSA-N 1 2 410.949 4.450 20 30 HIEDLO N#CCc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)cc1 ZINC000508662140 917426794 /nfs/dbraw/zinc/42/67/94/917426794.db2.gz BRPVTKNYYPXYOV-UHFFFAOYSA-N 1 2 423.314 4.054 20 30 HIEDLO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000508887004 917641657 /nfs/dbraw/zinc/64/16/57/917641657.db2.gz GEPYQVFFIUNIGT-UHFFFAOYSA-N 1 2 423.948 4.115 20 30 HIEDLO COCC[N@H+](Cc1nc2cc(Br)ccc2o1)Cc1ccc(C#N)cc1 ZINC000509280920 917964466 /nfs/dbraw/zinc/96/44/66/917964466.db2.gz YNOIHBSHOUTSGD-UHFFFAOYSA-N 1 2 400.276 4.111 20 30 HIEDLO COCC[N@@H+](Cc1nc2cc(Br)ccc2o1)Cc1ccc(C#N)cc1 ZINC000509280920 917964479 /nfs/dbraw/zinc/96/44/79/917964479.db2.gz YNOIHBSHOUTSGD-UHFFFAOYSA-N 1 2 400.276 4.111 20 30 HIEDLO Cc1noc(C)c1CN1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000509406052 918071277 /nfs/dbraw/zinc/07/12/77/918071277.db2.gz WAOHWSDMCZQXRH-UHFFFAOYSA-N 1 2 416.525 4.060 20 30 HIEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000509406052 918071288 /nfs/dbraw/zinc/07/12/88/918071288.db2.gz WAOHWSDMCZQXRH-UHFFFAOYSA-N 1 2 416.525 4.060 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC=C(c3cccc4ccccc43)CC2)c1 ZINC000513788700 922116601 /nfs/dbraw/zinc/11/66/01/922116601.db2.gz WDMOHVNAOZKXBI-UHFFFAOYSA-N 1 2 402.519 4.274 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC=C(c3cccc4ccccc43)CC2)c1 ZINC000513788700 922116606 /nfs/dbraw/zinc/11/66/06/922116606.db2.gz WDMOHVNAOZKXBI-UHFFFAOYSA-N 1 2 402.519 4.274 20 30 HIEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000517704701 926803954 /nfs/dbraw/zinc/80/39/54/926803954.db2.gz GAAAORVVTFTWCO-FQEVSTJZSA-N 1 2 414.912 4.157 20 30 HIEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000517704701 926803962 /nfs/dbraw/zinc/80/39/62/926803962.db2.gz GAAAORVVTFTWCO-FQEVSTJZSA-N 1 2 414.912 4.157 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000519515686 928007010 /nfs/dbraw/zinc/00/70/10/928007010.db2.gz RNHVUGCXSROHLW-CQSZACIVSA-N 1 2 407.455 4.427 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000520847635 928842346 /nfs/dbraw/zinc/84/23/46/928842346.db2.gz MOAZDLZRLYAEME-KRWDZBQOSA-N 1 2 401.919 4.047 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000520847635 928842349 /nfs/dbraw/zinc/84/23/49/928842349.db2.gz MOAZDLZRLYAEME-KRWDZBQOSA-N 1 2 401.919 4.047 20 30 HIEDLO C[C@@H](c1cccc(NC(=O)CCCCOc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000521076794 928976048 /nfs/dbraw/zinc/97/60/48/928976048.db2.gz DXIVNSKXBAKYMT-IBGZPJMESA-N 1 2 407.514 4.139 20 30 HIEDLO N#CCc1cccc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)c1 ZINC000522014850 929618712 /nfs/dbraw/zinc/61/87/12/929618712.db2.gz CPDVOXFNEQPLHQ-UHFFFAOYSA-N 1 2 410.880 4.474 20 30 HIEDLO C=CC[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000532153305 931329617 /nfs/dbraw/zinc/32/96/17/931329617.db2.gz LOHOVHXHVJHLQD-UHFFFAOYSA-N 1 2 405.395 4.021 20 30 HIEDLO C=CC[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000532153305 931329628 /nfs/dbraw/zinc/32/96/28/931329628.db2.gz LOHOVHXHVJHLQD-UHFFFAOYSA-N 1 2 405.395 4.021 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1C#N ZINC000532648445 931567486 /nfs/dbraw/zinc/56/74/86/931567486.db2.gz SZXVVYIDQPPVLF-QHCPKHFHSA-N 1 2 413.525 4.445 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1C#N ZINC000532648445 931567492 /nfs/dbraw/zinc/56/74/92/931567492.db2.gz SZXVVYIDQPPVLF-QHCPKHFHSA-N 1 2 413.525 4.445 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c1C#N ZINC000532649946 931568194 /nfs/dbraw/zinc/56/81/94/931568194.db2.gz WIVHZKNRDZQMGI-JOCHJYFZSA-N 1 2 417.488 4.276 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)c1C#N ZINC000532649946 931568203 /nfs/dbraw/zinc/56/82/03/931568203.db2.gz WIVHZKNRDZQMGI-JOCHJYFZSA-N 1 2 417.488 4.276 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1C#N ZINC000533031673 931747141 /nfs/dbraw/zinc/74/71/41/931747141.db2.gz MBIPJVMRSIADTI-JOCHJYFZSA-N 1 2 401.514 4.129 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1C#N ZINC000533031673 931747148 /nfs/dbraw/zinc/74/71/48/931747148.db2.gz MBIPJVMRSIADTI-JOCHJYFZSA-N 1 2 401.514 4.129 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000533290807 931829809 /nfs/dbraw/zinc/82/98/09/931829809.db2.gz NOZNIPHPBZSIKJ-UHFFFAOYSA-N 1 2 401.576 4.302 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)Nc4cc(Cl)ccc4C#N)CC3)c2c1 ZINC000533350726 931846022 /nfs/dbraw/zinc/84/60/22/931846022.db2.gz XRXDNKJTGVYKNF-UHFFFAOYSA-N 1 2 420.900 4.429 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)Nc4cc(Cl)ccc4C#N)CC3)c2c1 ZINC000533350726 931846026 /nfs/dbraw/zinc/84/60/26/931846026.db2.gz XRXDNKJTGVYKNF-UHFFFAOYSA-N 1 2 420.900 4.429 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c1C#N ZINC000533471688 931877620 /nfs/dbraw/zinc/87/76/20/931877620.db2.gz HFSMQNOWRQWQCY-QFIPXVFZSA-N 1 2 419.504 4.219 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c1C#N ZINC000533471688 931877621 /nfs/dbraw/zinc/87/76/21/931877621.db2.gz HFSMQNOWRQWQCY-QFIPXVFZSA-N 1 2 419.504 4.219 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC(OC(C)C)CC2)c1C#N ZINC000533475452 931878875 /nfs/dbraw/zinc/87/88/75/931878875.db2.gz MBZVRRRWKJKEOH-UHFFFAOYSA-N 1 2 400.567 4.310 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)C1=O ZINC000533606584 931919461 /nfs/dbraw/zinc/91/94/61/931919461.db2.gz FOGMLWVMDMPMTD-MAUKXSAKSA-N 1 2 415.946 4.169 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](COc3ccccc3Cl)C2)C1=O ZINC000533606584 931919468 /nfs/dbraw/zinc/91/94/68/931919468.db2.gz FOGMLWVMDMPMTD-MAUKXSAKSA-N 1 2 415.946 4.169 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000534954355 932856904 /nfs/dbraw/zinc/85/69/04/932856904.db2.gz RGFTWTDCBMCJNN-LJQANCHMSA-N 1 2 401.514 4.051 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000534954355 932856908 /nfs/dbraw/zinc/85/69/08/932856908.db2.gz RGFTWTDCBMCJNN-LJQANCHMSA-N 1 2 401.514 4.051 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129052 932946453 /nfs/dbraw/zinc/94/64/53/932946453.db2.gz HPVAXVNNVKJHNM-UYAOXDASSA-N 1 2 403.910 4.004 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129052 932946473 /nfs/dbraw/zinc/94/64/73/932946473.db2.gz HPVAXVNNVKJHNM-UYAOXDASSA-N 1 2 403.910 4.004 20 30 HIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535210781 933017577 /nfs/dbraw/zinc/01/75/77/933017577.db2.gz IKDXCGLOUAOBRM-GOSISDBHSA-N 1 2 401.470 4.414 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000535971393 933534050 /nfs/dbraw/zinc/53/40/50/933534050.db2.gz WSEQMPXIABYKNL-SFHVURJKSA-N 1 2 419.460 4.031 20 30 HIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000538164430 938532125 /nfs/dbraw/zinc/53/21/25/938532125.db2.gz XXFITBXNBXMQTK-ZDUSSCGKSA-N 1 2 402.376 4.400 20 30 HIEDLO C=CCCC[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000540374290 939215191 /nfs/dbraw/zinc/21/51/91/939215191.db2.gz DTQDTMLPRWPNDD-KRWDZBQOSA-N 1 2 404.555 4.253 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541116901 939466081 /nfs/dbraw/zinc/46/60/81/939466081.db2.gz NDLQSRHSMTWXEI-XFPJRNFQSA-N 1 2 416.447 4.171 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541116901 939466083 /nfs/dbraw/zinc/46/60/83/939466083.db2.gz NDLQSRHSMTWXEI-XFPJRNFQSA-N 1 2 416.447 4.171 20 30 HIEDLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542038042 939695548 /nfs/dbraw/zinc/69/55/48/939695548.db2.gz TURNOHRWKYWDRQ-ICSRJNTNSA-N 1 2 413.525 4.397 20 30 HIEDLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542038042 939695550 /nfs/dbraw/zinc/69/55/50/939695550.db2.gz TURNOHRWKYWDRQ-ICSRJNTNSA-N 1 2 413.525 4.397 20 30 HIEDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000542556915 939843346 /nfs/dbraw/zinc/84/33/46/939843346.db2.gz LNDLDMAAVSROKO-PBHICJAKSA-N 1 2 401.532 4.094 20 30 HIEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543040038 939902526 /nfs/dbraw/zinc/90/25/26/939902526.db2.gz REKYLXJFGARNLB-UHFFFAOYSA-N 1 2 418.463 4.155 20 30 HIEDLO CSc1ccc([C@H](CNC(=O)NCCCC#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000543355410 940040038 /nfs/dbraw/zinc/04/00/38/940040038.db2.gz GQHSMKPQSPAEGW-IBGZPJMESA-N 1 2 414.600 4.172 20 30 HIEDLO CSc1ccc([C@H](CNC(=O)NCCCC#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000543355410 940040040 /nfs/dbraw/zinc/04/00/40/940040040.db2.gz GQHSMKPQSPAEGW-IBGZPJMESA-N 1 2 414.600 4.172 20 30 HIEDLO CC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000543497235 940084932 /nfs/dbraw/zinc/08/49/32/940084932.db2.gz VASXPTXXPQXVNQ-LLVKDONJSA-N 1 2 402.467 4.391 20 30 HIEDLO C[C@H](c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1)[NH+]1CCOCC1 ZINC000544249931 940368141 /nfs/dbraw/zinc/36/81/41/940368141.db2.gz MWMHRGKIJTZYDE-GOSISDBHSA-N 1 2 404.514 4.148 20 30 HIEDLO Cc1nc(NCc2cccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c2)cc[nH+]1 ZINC000544461215 940441009 /nfs/dbraw/zinc/44/10/09/940441009.db2.gz HRSNISWHXCEYTH-UHFFFAOYSA-N 1 2 419.488 4.444 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000544470488 940445405 /nfs/dbraw/zinc/44/54/05/940445405.db2.gz ABHCDBLCXXVVAJ-MSOLQXFVSA-N 1 2 418.497 4.336 20 30 HIEDLO CC(C)c1[nH+]ccn1Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000546563694 940854413 /nfs/dbraw/zinc/85/44/13/940854413.db2.gz HHGMURTWCBJBIV-UHFFFAOYSA-N 1 2 414.918 4.381 20 30 HIEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc2ccccc2c1 ZINC000548798513 941124425 /nfs/dbraw/zinc/12/44/25/941124425.db2.gz APPZCRHERAIBJQ-PMACEKPBSA-N 1 2 412.537 4.358 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000553071511 941828503 /nfs/dbraw/zinc/82/85/03/941828503.db2.gz REWQQOBOUDHNPQ-SFHVURJKSA-N 1 2 419.554 4.160 20 30 HIEDLO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000555269472 942455775 /nfs/dbraw/zinc/45/57/75/942455775.db2.gz XYGUQCYLRSCVQI-UHFFFAOYSA-N 1 2 422.964 4.200 20 30 HIEDLO Cc1noc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000556883791 942950216 /nfs/dbraw/zinc/95/02/16/942950216.db2.gz FSWNGCGBUZSBRW-QGZVFWFLSA-N 1 2 413.547 4.136 20 30 HIEDLO Cc1noc([C@H]2CCCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000556883791 942950223 /nfs/dbraw/zinc/95/02/23/942950223.db2.gz FSWNGCGBUZSBRW-QGZVFWFLSA-N 1 2 413.547 4.136 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000558622703 943620007 /nfs/dbraw/zinc/62/00/07/943620007.db2.gz AFDHOMKYPSLPDH-HXUWFJFHSA-N 1 2 411.933 4.350 20 30 HIEDLO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000558999095 943796525 /nfs/dbraw/zinc/79/65/25/943796525.db2.gz MKJMZSYFFHZKDG-MRXNPFEDSA-N 1 2 413.472 4.276 20 30 HIEDLO COc1cccc([C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2cc(F)ccc2OC)c1 ZINC000560259012 944209455 /nfs/dbraw/zinc/20/94/55/944209455.db2.gz YSOGMZVIZXCVNJ-DEOSSOPVSA-N 1 2 416.456 4.241 20 30 HIEDLO N#Cc1ccc(Cc2cnc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)s2)cc1 ZINC000564406503 945559950 /nfs/dbraw/zinc/55/99/50/945559950.db2.gz CMNDQLUDRZLBIZ-UHFFFAOYSA-N 1 2 413.506 4.032 20 30 HIEDLO COc1ccc(Br)cc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000565126558 945781525 /nfs/dbraw/zinc/78/15/25/945781525.db2.gz UNPOLNILHKOAOQ-UHFFFAOYSA-N 1 2 401.304 4.373 20 30 HIEDLO N#CC1(CNC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC000567445159 946341706 /nfs/dbraw/zinc/34/17/06/946341706.db2.gz YRZOBMZTZYZIEK-OAQYLSRUSA-N 1 2 408.933 4.060 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)o2)c1 ZINC000570542551 947281576 /nfs/dbraw/zinc/28/15/76/947281576.db2.gz QQEQTUIVGXDKMW-MRXNPFEDSA-N 1 2 418.335 4.426 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)o2)c1 ZINC000570542551 947281604 /nfs/dbraw/zinc/28/16/04/947281604.db2.gz QQEQTUIVGXDKMW-MRXNPFEDSA-N 1 2 418.335 4.426 20 30 HIEDLO CC[C@@H](C#N)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000436054369 861340896 /nfs/dbraw/zinc/34/08/96/861340896.db2.gz VIBGYMAFLMVTRI-INIZCTEOSA-N 1 2 407.490 4.249 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000015742283 846088751 /nfs/dbraw/zinc/08/87/51/846088751.db2.gz GXIYGGQCRHVKSL-UHFFFAOYSA-N 1 2 411.505 4.095 20 30 HIEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000028684141 847447199 /nfs/dbraw/zinc/44/71/99/847447199.db2.gz RUGATOJPYRWRRQ-AWEZNQCLSA-N 1 2 409.515 4.191 20 30 HIEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000028684141 847447207 /nfs/dbraw/zinc/44/72/07/847447207.db2.gz RUGATOJPYRWRRQ-AWEZNQCLSA-N 1 2 409.515 4.191 20 30 HIEDLO COc1cccc(-c2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cs2)c1 ZINC000041106075 848201907 /nfs/dbraw/zinc/20/19/07/848201907.db2.gz SUTMQNIFRIHOQC-UHFFFAOYSA-N 1 2 404.539 4.008 20 30 HIEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC#Cc3cccc(C(F)(F)F)c3)cn2c1 ZINC000048787481 849268242 /nfs/dbraw/zinc/26/82/42/849268242.db2.gz SLNUQUQOZHXHFN-UHFFFAOYSA-N 1 2 417.456 4.063 20 30 HIEDLO COc1ccc(-c2nc(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)sc2C)cc1 ZINC000052580676 849597405 /nfs/dbraw/zinc/59/74/05/849597405.db2.gz WFFZKTKMGXCFFK-UHFFFAOYSA-N 1 2 406.511 4.069 20 30 HIEDLO COc1ccc(-c2nc(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)sc2C)cc1 ZINC000052580676 849597411 /nfs/dbraw/zinc/59/74/11/849597411.db2.gz WFFZKTKMGXCFFK-UHFFFAOYSA-N 1 2 406.511 4.069 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](c3ccc(Cl)cc3)C1)CCC2 ZINC000053370524 849700260 /nfs/dbraw/zinc/70/02/60/849700260.db2.gz VPZLGGCOUVCLAW-SFHVURJKSA-N 1 2 415.946 4.164 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](c3ccc(Cl)cc3)C1)CCC2 ZINC000053370524 849700265 /nfs/dbraw/zinc/70/02/65/849700265.db2.gz VPZLGGCOUVCLAW-SFHVURJKSA-N 1 2 415.946 4.164 20 30 HIEDLO C=CCc1ccc(OCC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000059308562 850994868 /nfs/dbraw/zinc/99/48/68/850994868.db2.gz AKQUPWRPQPFBBV-OALUTQOASA-N 1 2 424.541 4.050 20 30 HIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063299835 851654723 /nfs/dbraw/zinc/65/47/23/851654723.db2.gz OGABFEOIYYYHAR-MRXNPFEDSA-N 1 2 417.431 4.322 20 30 HIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063299835 851654727 /nfs/dbraw/zinc/65/47/27/851654727.db2.gz OGABFEOIYYYHAR-MRXNPFEDSA-N 1 2 417.431 4.322 20 30 HIEDLO COCC[N@H+](Cc1csc(-c2ccc(C(=O)OC)cc2)n1)Cc1ccc(C#N)cc1 ZINC000065237912 852092856 /nfs/dbraw/zinc/09/28/56/852092856.db2.gz IFTZZSQJNZQPRU-UHFFFAOYSA-N 1 2 421.522 4.117 20 30 HIEDLO COCC[N@@H+](Cc1csc(-c2ccc(C(=O)OC)cc2)n1)Cc1ccc(C#N)cc1 ZINC000065237912 852092862 /nfs/dbraw/zinc/09/28/62/852092862.db2.gz IFTZZSQJNZQPRU-UHFFFAOYSA-N 1 2 421.522 4.117 20 30 HIEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000437145098 862336620 /nfs/dbraw/zinc/33/66/20/862336620.db2.gz TWEGTAGDLFEHLC-HXUWFJFHSA-N 1 2 400.404 4.254 20 30 HIEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000437145098 862336640 /nfs/dbraw/zinc/33/66/40/862336640.db2.gz TWEGTAGDLFEHLC-HXUWFJFHSA-N 1 2 400.404 4.254 20 30 HIEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000078718977 852526840 /nfs/dbraw/zinc/52/68/40/852526840.db2.gz HWNIWIZGUCINPH-AWEZNQCLSA-N 1 2 416.224 4.082 20 30 HIEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195670874 853749199 /nfs/dbraw/zinc/74/91/99/853749199.db2.gz WIXKUJGSEHXICY-PKOBYXMFSA-N 1 2 424.715 4.047 20 30 HIEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195670874 853749203 /nfs/dbraw/zinc/74/92/03/853749203.db2.gz WIXKUJGSEHXICY-PKOBYXMFSA-N 1 2 424.715 4.047 20 30 HIEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301861725 854478651 /nfs/dbraw/zinc/47/86/51/854478651.db2.gz DWMUYLYRQNAMCQ-NVXWUHKLSA-N 1 2 410.827 4.109 20 30 HIEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2nc(C(F)(F)F)ccc2C#N)c2ccc(Cl)cc2)C1 ZINC000301861725 854478656 /nfs/dbraw/zinc/47/86/56/854478656.db2.gz DWMUYLYRQNAMCQ-NVXWUHKLSA-N 1 2 410.827 4.109 20 30 HIEDLO COc1cccc2c(NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)cc[nH+]c12 ZINC000302717918 854612161 /nfs/dbraw/zinc/61/21/61/854612161.db2.gz GMIGHIDNFGRJEK-UHFFFAOYSA-N 1 2 416.460 4.067 20 30 HIEDLO C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000303883614 855268174 /nfs/dbraw/zinc/26/81/74/855268174.db2.gz OSIDLYYXXKCRMD-DEOSSOPVSA-N 1 2 416.546 4.164 20 30 HIEDLO C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000303883614 855268179 /nfs/dbraw/zinc/26/81/79/855268179.db2.gz OSIDLYYXXKCRMD-DEOSSOPVSA-N 1 2 416.546 4.164 20 30 HIEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409485756 855504835 /nfs/dbraw/zinc/50/48/35/855504835.db2.gz OVQBZTXRCRKNDR-MRXNPFEDSA-N 1 2 401.432 4.025 20 30 HIEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2C1 ZINC000410328057 855931119 /nfs/dbraw/zinc/93/11/19/855931119.db2.gz AZPSJGNNISBRNN-UHFFFAOYSA-N 1 2 409.433 4.103 20 30 HIEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2C1 ZINC000410328057 855931126 /nfs/dbraw/zinc/93/11/26/855931126.db2.gz AZPSJGNNISBRNN-UHFFFAOYSA-N 1 2 409.433 4.103 20 30 HIEDLO N#CCCn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1-c1ccccc1 ZINC000428262433 857132133 /nfs/dbraw/zinc/13/21/33/857132133.db2.gz SZDJOVILNRFJHP-UHFFFAOYSA-N 1 2 400.417 4.041 20 30 HIEDLO Cc1nc(C(C)C)oc1C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000428291368 857143491 /nfs/dbraw/zinc/14/34/91/857143491.db2.gz ABSBOEHNMZGTHE-SFHVURJKSA-N 1 2 417.351 4.251 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428711705 857306307 /nfs/dbraw/zinc/30/63/07/857306307.db2.gz LVWWCBAPUWWEOL-NQIIRXRSSA-N 1 2 404.505 4.397 20 30 HIEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428711705 857306314 /nfs/dbraw/zinc/30/63/14/857306314.db2.gz LVWWCBAPUWWEOL-NQIIRXRSSA-N 1 2 404.505 4.397 20 30 HIEDLO C[C@@]12CC[N@H+](CC(=O)Nc3c(C#N)c4c(n3-c3ccccc3)CCCC4)C[C@@H]1C2(F)F ZINC000428742097 857315597 /nfs/dbraw/zinc/31/55/97/857315597.db2.gz CAOCEMJKKVTXRX-NZQKXSOJSA-N 1 2 424.495 4.143 20 30 HIEDLO C[C@@]12CC[N@@H+](CC(=O)Nc3c(C#N)c4c(n3-c3ccccc3)CCCC4)C[C@@H]1C2(F)F ZINC000428742097 857315609 /nfs/dbraw/zinc/31/56/09/857315609.db2.gz CAOCEMJKKVTXRX-NZQKXSOJSA-N 1 2 424.495 4.143 20 30 HIEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000429835356 857903124 /nfs/dbraw/zinc/90/31/24/857903124.db2.gz ALKWKLLTODUFHN-UHFFFAOYSA-N 1 2 400.507 4.299 20 30 HIEDLO Cc1cnc(C2CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)s1 ZINC000433138155 859536596 /nfs/dbraw/zinc/53/65/96/859536596.db2.gz RBMNCGDFVPVQQK-CYBMUJFWSA-N 1 2 400.573 4.080 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000434682601 860458349 /nfs/dbraw/zinc/45/83/49/860458349.db2.gz WQZZHJAXIKSVJH-UHFFFAOYSA-N 1 2 421.516 4.284 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)C1=O ZINC000434828222 860510467 /nfs/dbraw/zinc/51/04/67/860510467.db2.gz BQRUTTZTGBENPD-HXUWFJFHSA-N 1 2 406.486 4.135 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)C1=O ZINC000434828222 860510473 /nfs/dbraw/zinc/51/04/73/860510473.db2.gz BQRUTTZTGBENPD-HXUWFJFHSA-N 1 2 406.486 4.135 20 30 HIEDLO COCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000434905092 860548911 /nfs/dbraw/zinc/54/89/11/860548911.db2.gz PRNMECTYUQWVMP-HXUWFJFHSA-N 1 2 419.525 4.338 20 30 HIEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000434905092 860548916 /nfs/dbraw/zinc/54/89/16/860548916.db2.gz PRNMECTYUQWVMP-HXUWFJFHSA-N 1 2 419.525 4.338 20 30 HIEDLO COCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000434905090 860548963 /nfs/dbraw/zinc/54/89/63/860548963.db2.gz PRNMECTYUQWVMP-FQEVSTJZSA-N 1 2 419.525 4.338 20 30 HIEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000434905090 860548969 /nfs/dbraw/zinc/54/89/69/860548969.db2.gz PRNMECTYUQWVMP-FQEVSTJZSA-N 1 2 419.525 4.338 20 30 HIEDLO C=CCC[C@@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000434982200 860585312 /nfs/dbraw/zinc/58/53/12/860585312.db2.gz KGQSHRLLELOUMY-HSZRJFAPSA-N 1 2 420.557 4.096 20 30 HIEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000435135447 860658535 /nfs/dbraw/zinc/65/85/35/860658535.db2.gz PWCNRYQTNKGAKK-UHFFFAOYSA-N 1 2 417.469 4.494 20 30 HIEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000435135447 860658538 /nfs/dbraw/zinc/65/85/38/860658538.db2.gz PWCNRYQTNKGAKK-UHFFFAOYSA-N 1 2 417.469 4.494 20 30 HIEDLO N#Cc1csc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)c1 ZINC000438063960 863439652 /nfs/dbraw/zinc/43/96/52/863439652.db2.gz RYMTXEMSBHXUON-UHFFFAOYSA-N 1 2 402.882 4.341 20 30 HIEDLO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(C#N)cc4Cl)CC3)cc2NC1=O ZINC000439461290 864840728 /nfs/dbraw/zinc/84/07/28/864840728.db2.gz ZRBUKDJAOCADBP-AWEZNQCLSA-N 1 2 423.900 4.026 20 30 HIEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)c1 ZINC000440241344 865479093 /nfs/dbraw/zinc/47/90/93/865479093.db2.gz KIAJLYGQZOSNQF-AUSIDOKSSA-N 1 2 406.530 4.128 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(Cc3csc(CCc4ccccc4)n3)CC2)cc1 ZINC000440328499 865605204 /nfs/dbraw/zinc/60/52/04/865605204.db2.gz SVQUAISYWVKUNX-UHFFFAOYSA-N 1 2 402.567 4.118 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)C1 ZINC000441094966 866191935 /nfs/dbraw/zinc/19/19/35/866191935.db2.gz QVJDGZSWXPXNPU-NFBKMPQASA-N 1 2 420.557 4.346 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)C1 ZINC000441094966 866191948 /nfs/dbraw/zinc/19/19/48/866191948.db2.gz QVJDGZSWXPXNPU-NFBKMPQASA-N 1 2 420.557 4.346 20 30 HIEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCCCOc2cccc(C#N)c2)c(C)c1 ZINC000441487754 866569382 /nfs/dbraw/zinc/56/93/82/866569382.db2.gz HCIQLHPVRIEBSQ-XMMPIXPASA-N 1 2 416.525 4.478 20 30 HIEDLO N#Cc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1OC(F)(F)F ZINC000442212466 867236090 /nfs/dbraw/zinc/23/60/90/867236090.db2.gz ZPZFWMBZLLNCKW-UHFFFAOYSA-N 1 2 419.338 4.103 20 30 HIEDLO CC(C)(CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)CC(=O)c1ccccc1 ZINC000442882041 867714188 /nfs/dbraw/zinc/71/41/88/867714188.db2.gz PBQSEWDWUBUYOF-UHFFFAOYSA-N 1 2 417.553 4.350 20 30 HIEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000443858800 868391454 /nfs/dbraw/zinc/39/14/54/868391454.db2.gz RPWQHJUVABWLEG-QGZVFWFLSA-N 1 2 405.292 4.104 20 30 HIEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000443858800 868391474 /nfs/dbraw/zinc/39/14/74/868391474.db2.gz RPWQHJUVABWLEG-QGZVFWFLSA-N 1 2 405.292 4.104 20 30 HIEDLO COc1ccc(Cn2nc(C)c(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)c2C)cc1 ZINC000468407731 882350479 /nfs/dbraw/zinc/35/04/79/882350479.db2.gz IZXLQMRYHUBTFY-VWLOTQADSA-N 1 2 416.525 4.002 20 30 HIEDLO COc1ccc(Cn2nc(C)c(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)c2C)cc1 ZINC000468407731 882350498 /nfs/dbraw/zinc/35/04/98/882350498.db2.gz IZXLQMRYHUBTFY-VWLOTQADSA-N 1 2 416.525 4.002 20 30 HIEDLO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2I)c(F)c1 ZINC000446831537 870747532 /nfs/dbraw/zinc/74/75/32/870747532.db2.gz FYRJCCZEQOTBLL-UHFFFAOYSA-N 1 2 400.622 4.245 20 30 HIEDLO C[C@H](c1nccs1)N1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000468544128 882584648 /nfs/dbraw/zinc/58/46/48/882584648.db2.gz UMKBESFOJAHOHD-LJQANCHMSA-N 1 2 418.566 4.473 20 30 HIEDLO CSc1cccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2cc(F)ccc2F)c1 ZINC000462176913 875276333 /nfs/dbraw/zinc/27/63/33/875276333.db2.gz NAUZUJVWXMUULE-VXKWHMMOSA-N 1 2 417.525 4.420 20 30 HIEDLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3Cl)c2C1 ZINC000462380865 875493146 /nfs/dbraw/zinc/49/31/46/875493146.db2.gz NGFHIEKLCZWXHA-AWEZNQCLSA-N 1 2 403.935 4.373 20 30 HIEDLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3Cl)c2C1 ZINC000462380865 875493151 /nfs/dbraw/zinc/49/31/51/875493151.db2.gz NGFHIEKLCZWXHA-AWEZNQCLSA-N 1 2 403.935 4.373 20 30 HIEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)cc3C(F)(F)F)CC2)cs1 ZINC000463657085 876778342 /nfs/dbraw/zinc/77/83/42/876778342.db2.gz WVYCGRQFAROMNS-AWEZNQCLSA-N 1 2 424.492 4.453 20 30 HIEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)cc3C(F)(F)F)CC2)cs1 ZINC000463657085 876778347 /nfs/dbraw/zinc/77/83/47/876778347.db2.gz WVYCGRQFAROMNS-AWEZNQCLSA-N 1 2 424.492 4.453 20 30 HIEDLO NC(=O)[C@@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000463745303 876867686 /nfs/dbraw/zinc/86/76/86/876867686.db2.gz MHWLPTQRULMDAC-HOCLYGCPSA-N 1 2 424.316 4.014 20 30 HIEDLO N#CCCCOc1ccc[nH+]c1NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000466637050 880410752 /nfs/dbraw/zinc/41/07/52/880410752.db2.gz WVNZJDBJCXUBGP-UHFFFAOYSA-N 1 2 403.273 4.264 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1csc(Br)c1 ZINC000467193328 880920837 /nfs/dbraw/zinc/92/08/37/880920837.db2.gz FZEMHDCYAMZWAD-ZDUSSCGKSA-N 1 2 424.339 4.417 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1csc(Br)c1 ZINC000467193328 880920844 /nfs/dbraw/zinc/92/08/44/880920844.db2.gz FZEMHDCYAMZWAD-ZDUSSCGKSA-N 1 2 424.339 4.417 20 30 HIEDLO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000467239831 880964875 /nfs/dbraw/zinc/96/48/75/880964875.db2.gz YJEDAADBWBMBRG-UHFFFAOYSA-N 1 2 403.313 4.016 20 30 HIEDLO C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000469390792 883543261 /nfs/dbraw/zinc/54/32/61/883543261.db2.gz KLVBHZXCLUHXFP-FDDCHVKYSA-N 1 2 400.482 4.057 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000469938743 884133271 /nfs/dbraw/zinc/13/32/71/884133271.db2.gz LXQIVXQFNNOHDJ-UHFFFAOYSA-N 1 2 416.525 4.449 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000469946564 884143387 /nfs/dbraw/zinc/14/33/87/884143387.db2.gz DUUSDOKBGOZRNC-UHFFFAOYSA-N 1 2 416.525 4.449 20 30 HIEDLO CSc1ccccc1C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000471011857 885512783 /nfs/dbraw/zinc/51/27/83/885512783.db2.gz KRUUHUJBLVSINQ-UHFFFAOYSA-N 1 2 406.473 4.027 20 30 HIEDLO CSc1ccccc1C[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000471011857 885512812 /nfs/dbraw/zinc/51/28/12/885512812.db2.gz KRUUHUJBLVSINQ-UHFFFAOYSA-N 1 2 406.473 4.027 20 30 HIEDLO N#Cc1c2c(sc1NC(=O)C[NH2+]C1(c3nccs3)CCCC1)CCCCC2 ZINC000471040668 885551225 /nfs/dbraw/zinc/55/12/25/885551225.db2.gz VMGXJZVSKIKNCN-UHFFFAOYSA-N 1 2 400.573 4.343 20 30 HIEDLO COc1cc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)ccc1O ZINC000471158077 885709673 /nfs/dbraw/zinc/70/96/73/885709673.db2.gz WSZJJAZITNUUSU-UHFFFAOYSA-N 1 2 424.545 4.267 20 30 HIEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)ccc1O ZINC000471158077 885709680 /nfs/dbraw/zinc/70/96/80/885709680.db2.gz WSZJJAZITNUUSU-UHFFFAOYSA-N 1 2 424.545 4.267 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471971976 886803637 /nfs/dbraw/zinc/80/36/37/886803637.db2.gz YCADVMJAMQIXHX-AZUAARDMSA-N 1 2 402.420 4.241 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471971976 886803640 /nfs/dbraw/zinc/80/36/40/886803640.db2.gz YCADVMJAMQIXHX-AZUAARDMSA-N 1 2 402.420 4.241 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000471979871 886808881 /nfs/dbraw/zinc/80/88/81/886808881.db2.gz PRBUDUBCAYBPMN-MSOLQXFVSA-N 1 2 424.373 4.422 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000471979871 886808886 /nfs/dbraw/zinc/80/88/86/886808886.db2.gz PRBUDUBCAYBPMN-MSOLQXFVSA-N 1 2 424.373 4.422 20 30 HIEDLO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(OC)cc1OC ZINC000472428290 887276857 /nfs/dbraw/zinc/27/68/57/887276857.db2.gz GGGMDKVDJUOBMC-UHFFFAOYSA-N 1 2 405.498 4.277 20 30 HIEDLO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(OC)cc1OC ZINC000472428290 887276872 /nfs/dbraw/zinc/27/68/72/887276872.db2.gz GGGMDKVDJUOBMC-UHFFFAOYSA-N 1 2 405.498 4.277 20 30 HIEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000475348979 890272546 /nfs/dbraw/zinc/27/25/46/890272546.db2.gz VUFOBNULSVELDY-JOCHJYFZSA-N 1 2 419.916 4.305 20 30 HIEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000475385874 890312850 /nfs/dbraw/zinc/31/28/50/890312850.db2.gz AMQWVBZFCPVGBY-UHFFFAOYSA-N 1 2 416.525 4.038 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000475771392 890715577 /nfs/dbraw/zinc/71/55/77/890715577.db2.gz IFBUEMMMPTZNHD-MRXNPFEDSA-N 1 2 409.223 4.311 20 30 HIEDLO C=CCOc1ccccc1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480208641 895610963 /nfs/dbraw/zinc/61/09/63/895610963.db2.gz JTKRRWWKNZLRRE-KRWDZBQOSA-N 1 2 422.344 4.022 20 30 HIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000481066586 896388008 /nfs/dbraw/zinc/38/80/08/896388008.db2.gz CCMKLVZREFEVBJ-KRWDZBQOSA-N 1 2 411.937 4.443 20 30 HIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000481066586 896388025 /nfs/dbraw/zinc/38/80/25/896388025.db2.gz CCMKLVZREFEVBJ-KRWDZBQOSA-N 1 2 411.937 4.443 20 30 HIEDLO COc1ccccc1[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC000505458841 914130867 /nfs/dbraw/zinc/13/08/67/914130867.db2.gz CQCQGCDFLAXZLI-HSZRJFAPSA-N 1 2 413.477 4.146 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000481820399 897193100 /nfs/dbraw/zinc/19/31/00/897193100.db2.gz CAVFPRFVPIFGBX-UHOSZYNNSA-N 1 2 408.502 4.083 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000481820399 897193107 /nfs/dbraw/zinc/19/31/07/897193107.db2.gz CAVFPRFVPIFGBX-UHOSZYNNSA-N 1 2 408.502 4.083 20 30 HIEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000505470168 914143985 /nfs/dbraw/zinc/14/39/85/914143985.db2.gz YBDLXBXHPVSQCH-XMMPIXPASA-N 1 2 415.468 4.063 20 30 HIEDLO N#CCc1ccc(Oc2ccc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)cc2)cc1 ZINC000505475455 914154088 /nfs/dbraw/zinc/15/40/88/914154088.db2.gz BVWHPIYTVLCVKD-XMMPIXPASA-N 1 2 415.468 4.471 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000482912686 898530589 /nfs/dbraw/zinc/53/05/89/898530589.db2.gz CWWHVUKUZBNILL-LJQANCHMSA-N 1 2 423.582 4.045 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000482912686 898530602 /nfs/dbraw/zinc/53/06/02/898530602.db2.gz CWWHVUKUZBNILL-LJQANCHMSA-N 1 2 423.582 4.045 20 30 HIEDLO N#Cc1ccc(Br)c(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000483088757 898774688 /nfs/dbraw/zinc/77/46/88/898774688.db2.gz LQLGTKPVUBGQSE-OAHLLOKOSA-N 1 2 415.209 4.043 20 30 HIEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000505626587 914325967 /nfs/dbraw/zinc/32/59/67/914325967.db2.gz UWSUWBAENSWDCZ-HSZRJFAPSA-N 1 2 416.525 4.115 20 30 HIEDLO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1nc(Cc2ccccc2)no1 ZINC000483648023 899304632 /nfs/dbraw/zinc/30/46/32/899304632.db2.gz FXEPAQWICVCYAS-SFHVURJKSA-N 1 2 412.497 4.288 20 30 HIEDLO CCc1ccc([C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCO2)cc1 ZINC000484356103 899904594 /nfs/dbraw/zinc/90/45/94/899904594.db2.gz TYSSRCUDEUNKTL-FQEVSTJZSA-N 1 2 409.555 4.073 20 30 HIEDLO CCc1ccc([C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCO2)cc1 ZINC000484356103 899904604 /nfs/dbraw/zinc/90/46/04/899904604.db2.gz TYSSRCUDEUNKTL-FQEVSTJZSA-N 1 2 409.555 4.073 20 30 HIEDLO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1 ZINC000505703762 914390908 /nfs/dbraw/zinc/39/09/08/914390908.db2.gz VOUZCYKWAHCBQZ-OAQYLSRUSA-N 1 2 418.884 4.186 20 30 HIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(C#N)c(Br)c2)c1C ZINC000487913397 902447531 /nfs/dbraw/zinc/44/75/31/902447531.db2.gz JGDLOBAEYRBDDD-UHFFFAOYSA-N 1 2 403.280 4.005 20 30 HIEDLO C[N@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1ccc(F)cc1C#N ZINC000488420947 902819501 /nfs/dbraw/zinc/81/95/01/902819501.db2.gz PNEKLJXIBKNKPJ-UHFFFAOYSA-N 1 2 409.486 4.130 20 30 HIEDLO C[N@@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1ccc(F)cc1C#N ZINC000488420947 902819502 /nfs/dbraw/zinc/81/95/02/902819502.db2.gz PNEKLJXIBKNKPJ-UHFFFAOYSA-N 1 2 409.486 4.130 20 30 HIEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)CC1 ZINC000506033281 914717152 /nfs/dbraw/zinc/71/71/52/914717152.db2.gz WGUCXANWPPJCON-UHFFFAOYSA-N 1 2 408.468 4.260 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490025742 903729848 /nfs/dbraw/zinc/72/98/48/903729848.db2.gz KLSQKMXVDYDEKI-UHFFFAOYSA-N 1 2 406.486 4.123 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490025742 903729859 /nfs/dbraw/zinc/72/98/59/903729859.db2.gz KLSQKMXVDYDEKI-UHFFFAOYSA-N 1 2 406.486 4.123 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490091893 903766517 /nfs/dbraw/zinc/76/65/17/903766517.db2.gz QJMUMNHBCVBUBK-NEPJUHHUSA-N 1 2 403.495 4.477 20 30 HIEDLO N#Cc1ccc(Br)c(C[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000491677013 904682257 /nfs/dbraw/zinc/68/22/57/904682257.db2.gz QNQSNQVRNLWXEZ-KRWDZBQOSA-N 1 2 424.136 4.297 20 30 HIEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000506246261 914861450 /nfs/dbraw/zinc/86/14/50/914861450.db2.gz NASYVFPXWVGVAJ-UHFFFAOYSA-N 1 2 421.585 4.230 20 30 HIEDLO CC(C)(C#N)CNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000512798946 921313718 /nfs/dbraw/zinc/31/37/18/921313718.db2.gz XWXJTVPTPUEIOZ-OAQYLSRUSA-N 1 2 410.949 4.306 20 30 HIEDLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512818801 921323319 /nfs/dbraw/zinc/32/33/19/921323319.db2.gz YSXZETUUDGZTRU-OAHLLOKOSA-N 1 2 424.451 4.415 20 30 HIEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000499175167 908528397 /nfs/dbraw/zinc/52/83/97/908528397.db2.gz YQZPBJFJAPTJBX-RBUKOAKNSA-N 1 2 419.312 4.058 20 30 HIEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000499175167 908528409 /nfs/dbraw/zinc/52/84/09/908528409.db2.gz YQZPBJFJAPTJBX-RBUKOAKNSA-N 1 2 419.312 4.058 20 30 HIEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499621396 908857810 /nfs/dbraw/zinc/85/78/10/908857810.db2.gz XVWGRVCJJKERHF-HSZRJFAPSA-N 1 2 422.573 4.022 20 30 HIEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499621396 908857812 /nfs/dbraw/zinc/85/78/12/908857812.db2.gz XVWGRVCJJKERHF-HSZRJFAPSA-N 1 2 422.573 4.022 20 30 HIEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000499950649 909054918 /nfs/dbraw/zinc/05/49/18/909054918.db2.gz REMRUIGXQAZTDY-GOSISDBHSA-N 1 2 405.395 4.064 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CO)c2cccc(Cl)c2F)c1 ZINC000499954636 909057313 /nfs/dbraw/zinc/05/73/13/909057313.db2.gz NETQYLSCPAFAEZ-OXJNMPFZSA-N 1 2 417.912 4.054 20 30 HIEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2F)ccc1Cl ZINC000499964584 909403668 /nfs/dbraw/zinc/40/36/68/909403668.db2.gz MVOHOJPJIPPRPE-GOSISDBHSA-N 1 2 424.303 4.011 20 30 HIEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2F)ccc1Cl ZINC000499964588 909404832 /nfs/dbraw/zinc/40/48/32/909404832.db2.gz MVOHOJPJIPPRPE-SFHVURJKSA-N 1 2 424.303 4.011 20 30 HIEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000500587851 909948816 /nfs/dbraw/zinc/94/88/16/909948816.db2.gz GJBBNTJKDVIJHB-UHFFFAOYSA-N 1 2 407.315 4.191 20 30 HIEDLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(Cl)c1 ZINC000502166969 911087267 /nfs/dbraw/zinc/08/72/67/911087267.db2.gz ASZGDMJWTNFNBB-UHFFFAOYSA-N 1 2 424.932 4.118 20 30 HIEDLO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1)C1CCCC1 ZINC000502300127 911261895 /nfs/dbraw/zinc/26/18/95/911261895.db2.gz IWJZYVOQMMSSHS-LJQANCHMSA-N 1 2 410.949 4.423 20 30 HIEDLO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1)C1CCCC1 ZINC000502300127 911261937 /nfs/dbraw/zinc/26/19/37/911261937.db2.gz IWJZYVOQMMSSHS-LJQANCHMSA-N 1 2 410.949 4.423 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000502548336 911555179 /nfs/dbraw/zinc/55/51/79/911555179.db2.gz JDCCURINULEELV-UHFFFAOYSA-N 1 2 401.388 4.185 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000502548336 911555194 /nfs/dbraw/zinc/55/51/94/911555194.db2.gz JDCCURINULEELV-UHFFFAOYSA-N 1 2 401.388 4.185 20 30 HIEDLO CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1cccs1 ZINC000503217628 912200680 /nfs/dbraw/zinc/20/06/80/912200680.db2.gz HZRQGIUDDKSVQY-QFIPXVFZSA-N 1 2 410.587 4.035 20 30 HIEDLO CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)c1cccs1 ZINC000503217628 912200701 /nfs/dbraw/zinc/20/07/01/912200701.db2.gz HZRQGIUDDKSVQY-QFIPXVFZSA-N 1 2 410.587 4.035 20 30 HIEDLO CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000507817805 916611263 /nfs/dbraw/zinc/61/12/63/916611263.db2.gz HAUMQKVCNBJGGF-QFIPXVFZSA-N 1 2 411.571 4.367 20 30 HIEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507849632 916672035 /nfs/dbraw/zinc/67/20/35/916672035.db2.gz SJMXXSZBGKSVQC-OAHLLOKOSA-N 1 2 413.905 4.091 20 30 HIEDLO C=CCOc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000508420515 917208744 /nfs/dbraw/zinc/20/87/44/917208744.db2.gz FDNYAFYVMJOAFK-XZOQPEGZSA-N 1 2 402.498 4.176 20 30 HIEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000508490665 917275448 /nfs/dbraw/zinc/27/54/48/917275448.db2.gz QRXCDKRKKLVCTJ-FQEVSTJZSA-N 1 2 412.488 4.011 20 30 HIEDLO C=CCn1c(-c2sccc2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508866943 917622135 /nfs/dbraw/zinc/62/21/35/917622135.db2.gz NFJOJXKENKIMAO-UHFFFAOYSA-N 1 2 423.590 4.049 20 30 HIEDLO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000508890088 917645385 /nfs/dbraw/zinc/64/53/85/917645385.db2.gz VTDHDMCPUORSQQ-UHFFFAOYSA-N 1 2 424.961 4.040 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000509022731 917776671 /nfs/dbraw/zinc/77/66/71/917776671.db2.gz NHSHZKIDJWIAPK-GOSISDBHSA-N 1 2 419.504 4.191 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000509022731 917776687 /nfs/dbraw/zinc/77/66/87/917776687.db2.gz NHSHZKIDJWIAPK-GOSISDBHSA-N 1 2 419.504 4.191 20 30 HIEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)c1 ZINC000509233118 917930207 /nfs/dbraw/zinc/93/02/07/917930207.db2.gz GTLQFPSLPKHYCB-SFHVURJKSA-N 1 2 422.529 4.265 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cc(Br)cs1 ZINC000510076715 918645736 /nfs/dbraw/zinc/64/57/36/918645736.db2.gz KUDQOVSCSQWOCP-ZDUSSCGKSA-N 1 2 424.339 4.417 20 30 HIEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cc(Br)cs1 ZINC000510076715 918645743 /nfs/dbraw/zinc/64/57/43/918645743.db2.gz KUDQOVSCSQWOCP-ZDUSSCGKSA-N 1 2 424.339 4.417 20 30 HIEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000510442417 918899185 /nfs/dbraw/zinc/89/91/85/918899185.db2.gz PDTSVSJBRCBSRF-IBGZPJMESA-N 1 2 418.884 4.408 20 30 HIEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511092021 919694604 /nfs/dbraw/zinc/69/46/04/919694604.db2.gz NRGOCZIJROETNJ-UHFFFAOYSA-N 1 2 402.376 4.181 20 30 HIEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511092021 919694613 /nfs/dbraw/zinc/69/46/13/919694613.db2.gz NRGOCZIJROETNJ-UHFFFAOYSA-N 1 2 402.376 4.181 20 30 HIEDLO N#C[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513980650 922302368 /nfs/dbraw/zinc/30/23/68/922302368.db2.gz XPXHQMMCHXXPEA-AMGIVPHBSA-N 1 2 423.516 4.138 20 30 HIEDLO N#C[C@@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513980650 922302388 /nfs/dbraw/zinc/30/23/88/922302388.db2.gz XPXHQMMCHXXPEA-AMGIVPHBSA-N 1 2 423.516 4.138 20 30 HIEDLO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1Br ZINC000520169009 928359151 /nfs/dbraw/zinc/35/91/51/928359151.db2.gz PDMSYDBUJAAIQK-INIZCTEOSA-N 1 2 414.347 4.410 20 30 HIEDLO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1Br ZINC000520169009 928359168 /nfs/dbraw/zinc/35/91/68/928359168.db2.gz PDMSYDBUJAAIQK-INIZCTEOSA-N 1 2 414.347 4.410 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520197342 928382897 /nfs/dbraw/zinc/38/28/97/928382897.db2.gz CORXKYWMSOIIFD-QUCCMNQESA-N 1 2 424.570 4.103 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520197342 928382919 /nfs/dbraw/zinc/38/29/19/928382919.db2.gz CORXKYWMSOIIFD-QUCCMNQESA-N 1 2 424.570 4.103 20 30 HIEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2nnc(C(C)C)s2)cc1OC ZINC000532329019 931398852 /nfs/dbraw/zinc/39/88/52/931398852.db2.gz LJMHVLDGNZNCTN-UHFFFAOYSA-N 1 2 412.353 4.287 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532571313 931533071 /nfs/dbraw/zinc/53/30/71/931533071.db2.gz FQMXVGFEHMQYFP-MRXNPFEDSA-N 1 2 415.603 4.497 20 30 HIEDLO COc1cccc(NC2CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000532588487 931547120 /nfs/dbraw/zinc/54/71/20/931547120.db2.gz SKRMZOKAPMCRMD-HNNXBMFYSA-N 1 2 424.570 4.021 20 30 HIEDLO CC(C)OC1CC[NH+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC000532632534 931562146 /nfs/dbraw/zinc/56/21/46/931562146.db2.gz DMQUUQRASZQEJG-UHFFFAOYSA-N 1 2 420.557 4.056 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000533221770 931813522 /nfs/dbraw/zinc/81/35/22/931813522.db2.gz FGADWXDMBJBWOM-QGZVFWFLSA-N 1 2 407.539 4.372 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000533221770 931813523 /nfs/dbraw/zinc/81/35/23/931813523.db2.gz FGADWXDMBJBWOM-QGZVFWFLSA-N 1 2 407.539 4.372 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c1C#N ZINC000533243516 931817247 /nfs/dbraw/zinc/81/72/47/931817247.db2.gz RDIBFNXWEKDUKX-UHFFFAOYSA-N 1 2 401.514 4.210 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c1C#N ZINC000533243516 931817249 /nfs/dbraw/zinc/81/72/49/931817249.db2.gz RDIBFNXWEKDUKX-UHFFFAOYSA-N 1 2 401.514 4.210 20 30 HIEDLO Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000533532374 931895946 /nfs/dbraw/zinc/89/59/46/931895946.db2.gz AHHZFQMAEIFBMP-MRXNPFEDSA-N 1 2 408.571 4.320 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534525146 932545888 /nfs/dbraw/zinc/54/58/88/932545888.db2.gz TZMVKNOCAPWYFF-INIZCTEOSA-N 1 2 400.573 4.350 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000535667690 933313826 /nfs/dbraw/zinc/31/38/26/933313826.db2.gz OCEXBUSHPZTGLQ-KRWDZBQOSA-N 1 2 405.477 4.131 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000535667690 933313836 /nfs/dbraw/zinc/31/38/36/933313836.db2.gz OCEXBUSHPZTGLQ-KRWDZBQOSA-N 1 2 405.477 4.131 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000535971392 933533613 /nfs/dbraw/zinc/53/36/13/933533613.db2.gz WSEQMPXIABYKNL-GOSISDBHSA-N 1 2 419.460 4.031 20 30 HIEDLO COc1c(Br)cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1Br ZINC000537623233 938337395 /nfs/dbraw/zinc/33/73/95/938337395.db2.gz ZPTVFYMGPZOKPD-SNVBAGLBSA-N 1 2 402.130 4.344 20 30 HIEDLO COc1c(Br)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1Br ZINC000537623233 938337398 /nfs/dbraw/zinc/33/73/98/938337398.db2.gz ZPTVFYMGPZOKPD-SNVBAGLBSA-N 1 2 402.130 4.344 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538024212 938468204 /nfs/dbraw/zinc/46/82/04/938468204.db2.gz PLKJBPOUKDEEPS-ONTRVFCTSA-N 1 2 415.896 4.070 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538024212 938468209 /nfs/dbraw/zinc/46/82/09/938468209.db2.gz PLKJBPOUKDEEPS-ONTRVFCTSA-N 1 2 415.896 4.070 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539156449 938813173 /nfs/dbraw/zinc/81/31/73/938813173.db2.gz YHXCEDXYJZGDEK-LEWJYISDSA-N 1 2 414.912 4.328 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539156449 938813175 /nfs/dbraw/zinc/81/31/75/938813175.db2.gz YHXCEDXYJZGDEK-LEWJYISDSA-N 1 2 414.912 4.328 20 30 HIEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(OCc2ccccn2)c1 ZINC000539252143 938826528 /nfs/dbraw/zinc/82/65/28/938826528.db2.gz BDXPYCKETPTOII-KRWDZBQOSA-N 1 2 411.465 4.433 20 30 HIEDLO N#Cc1ccccc1-c1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000540268465 939178283 /nfs/dbraw/zinc/17/82/83/939178283.db2.gz CNHJOLROBCFWNB-UHFFFAOYSA-N 1 2 411.509 4.088 20 30 HIEDLO N#Cc1ccc(C[NH2+][C@@H](CCO)c2ccccc2Br)c(OC(F)F)c1 ZINC000541025200 939433505 /nfs/dbraw/zinc/43/35/05/939433505.db2.gz VOCBZHDNJSXLHP-INIZCTEOSA-N 1 2 411.246 4.135 20 30 HIEDLO COc1c(Br)cc(Br)cc1C[NH+]1CCC(CC#N)CC1 ZINC000541922168 939654652 /nfs/dbraw/zinc/65/46/52/939654652.db2.gz QAFQGNUWZHVNNR-UHFFFAOYSA-N 1 2 402.130 4.346 20 30 HIEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)s1 ZINC000542580465 939845931 /nfs/dbraw/zinc/84/59/31/939845931.db2.gz FPNFLXYIQSUZJT-UHFFFAOYSA-N 1 2 407.543 4.194 20 30 HIEDLO N#Cc1cc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)ccc1Cl ZINC000542728867 939857434 /nfs/dbraw/zinc/85/74/34/939857434.db2.gz OEDGFXQYBVZLNW-UHFFFAOYSA-N 1 2 404.861 4.100 20 30 HIEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543876251 940221539 /nfs/dbraw/zinc/22/15/39/940221539.db2.gz XCWLJVAMZNMVJD-INIZCTEOSA-N 1 2 409.433 4.041 20 30 HIEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543876251 940221543 /nfs/dbraw/zinc/22/15/43/940221543.db2.gz XCWLJVAMZNMVJD-INIZCTEOSA-N 1 2 409.433 4.041 20 30 HIEDLO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543943042 940258269 /nfs/dbraw/zinc/25/82/69/940258269.db2.gz ANZXWEMLEFLFCP-IBGZPJMESA-N 1 2 411.509 4.213 20 30 HIEDLO N#Cc1ccc(OCc2ccc(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)o2)cc1 ZINC000544041096 940307379 /nfs/dbraw/zinc/30/73/79/940307379.db2.gz XEMXQKFVTKCSFD-UHFFFAOYSA-N 1 2 418.497 4.259 20 30 HIEDLO CC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000544459460 940440025 /nfs/dbraw/zinc/44/00/25/940440025.db2.gz SFPFZUAJQAHFJD-LBPRGKRZSA-N 1 2 402.829 4.366 20 30 HIEDLO COc1cccc(-c2noc([C@H](C)[NH2+]CC#Cc3ccc(OC(F)(F)F)cc3)n2)c1 ZINC000544514545 940466046 /nfs/dbraw/zinc/46/60/46/940466046.db2.gz ZSMSVVHEGBQMOZ-AWEZNQCLSA-N 1 2 417.387 4.346 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000544516641 940468020 /nfs/dbraw/zinc/46/80/20/940468020.db2.gz HEDKPRXWZQGMER-HUUCEWRRSA-N 1 2 414.506 4.191 20 30 HIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2)cc1 ZINC000544517897 940469199 /nfs/dbraw/zinc/46/91/99/940469199.db2.gz CSDZLOVUOYLXJU-SNTJIJGESA-N 1 2 423.561 4.269 20 30 HIEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc2c(c1)CCCC2 ZINC000548865994 941127390 /nfs/dbraw/zinc/12/73/90/941127390.db2.gz YAMWTWRAUMRRHO-WOJBJXKFSA-N 1 2 416.569 4.083 20 30 HIEDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000548936801 941130788 /nfs/dbraw/zinc/13/07/88/941130788.db2.gz NCTVNQJFMGMWRZ-LLVKDONJSA-N 1 2 406.799 4.057 20 30 HIEDLO N#Cc1ccnc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)c1 ZINC000549760080 941206753 /nfs/dbraw/zinc/20/67/53/941206753.db2.gz PVIDTELHLDRLTJ-UHFFFAOYSA-N 1 2 422.941 4.293 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000551735705 941535914 /nfs/dbraw/zinc/53/59/14/941535914.db2.gz PBQSOTLGPUMDIM-KRWDZBQOSA-N 1 2 412.534 4.233 20 30 HIEDLO N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000560517569 944240550 /nfs/dbraw/zinc/24/05/50/944240550.db2.gz YAWGQYCFHHCFNH-MXVIHJGJSA-N 1 2 416.481 4.278 20 30 HIEDLO N#Cc1cc(Oc2ccc(NC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2)ccn1 ZINC000564438695 945586797 /nfs/dbraw/zinc/58/67/97/945586797.db2.gz KPRYSNYSSSFOIE-UHFFFAOYSA-N 1 2 424.464 4.312 20 30 HIEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2ccc(C#N)c([N+](=O)[O-])c2)cc1 ZINC000566042179 945993594 /nfs/dbraw/zinc/99/35/94/945993594.db2.gz UNVZLJPBSPQKHS-UHFFFAOYSA-N 1 2 405.458 4.159 20 30 HIEDLO N#Cc1ccccc1-c1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000568454374 946558127 /nfs/dbraw/zinc/55/81/27/946558127.db2.gz LJYPVNVBPFMWMT-UHFFFAOYSA-N 1 2 406.489 4.329 20 30 HIEDLO Cc1[nH+]ccn1-c1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000572899422 948033732 /nfs/dbraw/zinc/03/37/32/948033732.db2.gz NBIRPJBGOWONMS-UHFFFAOYSA-N 1 2 407.282 4.160 20 30 HIEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000573995137 948343518 /nfs/dbraw/zinc/34/35/18/948343518.db2.gz ARENNGCDOOMFFN-UHFFFAOYSA-N 1 2 413.525 4.402 20 30 HIEDLO C=CCn1c2nn(C[N@H+](Cc3ccccc3)C(C)C)c(=S)n2c2ccccc2c1=O ZINC000012554241 845876511 /nfs/dbraw/zinc/87/65/11/845876511.db2.gz CCWKURJNFPOPAQ-UHFFFAOYSA-N 1 2 419.554 4.234 20 30 HIEDLO C=CCn1c2nn(C[N@@H+](Cc3ccccc3)C(C)C)c(=S)n2c2ccccc2c1=O ZINC000012554241 845876514 /nfs/dbraw/zinc/87/65/14/845876514.db2.gz CCWKURJNFPOPAQ-UHFFFAOYSA-N 1 2 419.554 4.234 20 30 HIEDLO C=CCn1c2nn(C[N@@H+]3CCC[C@@H]3c3ccccc3)c(=S)n2c2ccccc2c1=O ZINC000014307773 845935388 /nfs/dbraw/zinc/93/53/88/845935388.db2.gz BGWXFOKDVGSBEM-LJQANCHMSA-N 1 2 417.538 4.161 20 30 HIEDLO C=CCn1c2nn(C[N@H+]3CCC[C@@H]3c3ccccc3)c(=S)n2c2ccccc2c1=O ZINC000014307773 845935395 /nfs/dbraw/zinc/93/53/95/845935395.db2.gz BGWXFOKDVGSBEM-LJQANCHMSA-N 1 2 417.538 4.161 20 30 HIEDLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781569 846619698 /nfs/dbraw/zinc/61/96/98/846619698.db2.gz HKUGMTGNZMCMJW-VQTJNVASSA-N 1 2 404.558 4.217 20 30 HIEDLO CCOc1ccc(-c2nc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)cs2)cc1 ZINC000028836216 847466899 /nfs/dbraw/zinc/46/68/99/847466899.db2.gz SYXKGQGANITRKI-UHFFFAOYSA-N 1 2 400.529 4.290 20 30 HIEDLO CCOc1ccc(-c2nc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)cs2)cc1 ZINC000028836216 847466905 /nfs/dbraw/zinc/46/69/05/847466905.db2.gz SYXKGQGANITRKI-UHFFFAOYSA-N 1 2 400.529 4.290 20 30 HIEDLO C=CCn1c(COc2ccccc2F)nnc1SCc1cn2cc(C)ccc2[nH+]1 ZINC000030545954 847734132 /nfs/dbraw/zinc/73/41/32/847734132.db2.gz LDIZRXDRCXXTBB-UHFFFAOYSA-N 1 2 409.490 4.431 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)Cc2cccs2)cc1 ZINC000030921788 847798299 /nfs/dbraw/zinc/79/82/99/847798299.db2.gz TXZKWJUPMTYZGJ-UHFFFAOYSA-N 1 2 408.527 4.106 20 30 HIEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)Cc2cccs2)cc1 ZINC000030921788 847798305 /nfs/dbraw/zinc/79/83/05/847798305.db2.gz TXZKWJUPMTYZGJ-UHFFFAOYSA-N 1 2 408.527 4.106 20 30 HIEDLO Cc1nc(-c2ccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)cs1 ZINC000043855193 848479736 /nfs/dbraw/zinc/47/97/36/848479736.db2.gz BTBOMFATNAENEB-UHFFFAOYSA-N 1 2 417.538 4.340 20 30 HIEDLO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000046225786 848807549 /nfs/dbraw/zinc/80/75/49/848807549.db2.gz RTUUGMLKSUMXNR-HXUWFJFHSA-N 1 2 414.912 4.329 20 30 HIEDLO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccc(C#N)cc1 ZINC000046529112 848868069 /nfs/dbraw/zinc/86/80/69/848868069.db2.gz VENCORMCJWCQIS-UHFFFAOYSA-N 1 2 407.455 4.310 20 30 HIEDLO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccc(C#N)cc1 ZINC000046529112 848868075 /nfs/dbraw/zinc/86/80/75/848868075.db2.gz VENCORMCJWCQIS-UHFFFAOYSA-N 1 2 407.455 4.310 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)Cc1cccs1 ZINC000050274363 849366527 /nfs/dbraw/zinc/36/65/27/849366527.db2.gz QBZNQPXFMCONMU-HXUWFJFHSA-N 1 2 400.544 4.117 20 30 HIEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)Cc1cccs1 ZINC000050274363 849366531 /nfs/dbraw/zinc/36/65/31/849366531.db2.gz QBZNQPXFMCONMU-HXUWFJFHSA-N 1 2 400.544 4.117 20 30 HIEDLO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000051058038 849430200 /nfs/dbraw/zinc/43/02/00/849430200.db2.gz GVBHPSRPPDGWRO-CQSZACIVSA-N 1 2 406.577 4.088 20 30 HIEDLO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000051058038 849430204 /nfs/dbraw/zinc/43/02/04/849430204.db2.gz GVBHPSRPPDGWRO-CQSZACIVSA-N 1 2 406.577 4.088 20 30 HIEDLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000057622757 850682241 /nfs/dbraw/zinc/68/22/41/850682241.db2.gz RVGZRKTVOYAZEC-IBGZPJMESA-N 1 2 421.541 4.177 20 30 HIEDLO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000057622757 850682248 /nfs/dbraw/zinc/68/22/48/850682248.db2.gz RVGZRKTVOYAZEC-IBGZPJMESA-N 1 2 421.541 4.177 20 30 HIEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000059416884 851005582 /nfs/dbraw/zinc/00/55/82/851005582.db2.gz RCFZZVMLUXDSRD-UHFFFAOYSA-N 1 2 402.130 4.133 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(OC)cc1 ZINC000059423196 851007261 /nfs/dbraw/zinc/00/72/61/851007261.db2.gz HQGQBXZEKAIWJI-UHFFFAOYSA-N 1 2 407.283 4.224 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(OC)cc1 ZINC000059423196 851007268 /nfs/dbraw/zinc/00/72/68/851007268.db2.gz HQGQBXZEKAIWJI-UHFFFAOYSA-N 1 2 407.283 4.224 20 30 HIEDLO COc1ccccc1CNC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064248251 851856856 /nfs/dbraw/zinc/85/68/56/851856856.db2.gz GVBNPLYMMNZZGI-UHFFFAOYSA-N 1 2 417.484 4.025 20 30 HIEDLO COc1ccccc1CNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064248251 851856860 /nfs/dbraw/zinc/85/68/60/851856860.db2.gz GVBNPLYMMNZZGI-UHFFFAOYSA-N 1 2 417.484 4.025 20 30 HIEDLO Cc1cc(C(O)=CONC(=[NH2+])c2ccc(F)c(F)c2)c(C)n1CCc1cccs1 ZINC000065205284 852085946 /nfs/dbraw/zinc/08/59/46/852085946.db2.gz YGFMXFOJGQXOHL-UHFFFAOYSA-N 1 2 417.481 4.207 20 30 HIEDLO Cc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)c1C ZINC000109148800 852927798 /nfs/dbraw/zinc/92/77/98/852927798.db2.gz APQKAXSLFMJLHI-UHFFFAOYSA-N 1 2 403.482 4.158 20 30 HIEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3coc(-c4cccs4)n3)c2)n1 ZINC000110181300 853070138 /nfs/dbraw/zinc/07/01/38/853070138.db2.gz ZCWYEZQKMFDPES-UHFFFAOYSA-N 1 2 407.499 4.102 20 30 HIEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000110480888 853106851 /nfs/dbraw/zinc/10/68/51/853106851.db2.gz MOHLKBQTSAWJIV-KGVIQGDOSA-N 1 2 422.529 4.126 20 30 HIEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000110480888 853106862 /nfs/dbraw/zinc/10/68/62/853106862.db2.gz MOHLKBQTSAWJIV-KGVIQGDOSA-N 1 2 422.529 4.126 20 30 HIEDLO N#Cc1cnc2ccc(Cl)cc2c1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000301379577 854376390 /nfs/dbraw/zinc/37/63/90/854376390.db2.gz TUXFPTMKUBKNCR-UHFFFAOYSA-N 1 2 422.916 4.083 20 30 HIEDLO Cc1cc(N2CC[NH+]([C@H](C)c3nccs3)CC2)n2c3ccccc3nc2c1C#N ZINC000302178359 854544143 /nfs/dbraw/zinc/54/41/43/854544143.db2.gz DAFFFTJACFODOX-MRXNPFEDSA-N 1 2 402.527 4.007 20 30 HIEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000303229255 854826637 /nfs/dbraw/zinc/82/66/37/854826637.db2.gz XYQLVAOUFQYVRN-HXUWFJFHSA-N 1 2 420.557 4.243 20 30 HIEDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303693704 855137246 /nfs/dbraw/zinc/13/72/46/855137246.db2.gz QEIWTASEMJCOBB-UHFFFAOYSA-N 1 2 424.320 4.038 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000303788560 855198754 /nfs/dbraw/zinc/19/87/54/855198754.db2.gz HUGOLRJMGHWMHN-UHFFFAOYSA-N 1 2 401.388 4.386 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000303833366 855231609 /nfs/dbraw/zinc/23/16/09/855231609.db2.gz RJTVIMPZESRVPN-UHFFFAOYSA-N 1 2 415.415 4.445 20 30 HIEDLO N#Cc1cc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)ccc1C(F)(F)F ZINC000409479170 855502318 /nfs/dbraw/zinc/50/23/18/855502318.db2.gz PHXDGXUKDVGBKE-UHFFFAOYSA-N 1 2 417.412 4.368 20 30 HIEDLO N#Cc1cccc(-c2c[nH]c(CNc3cc[nH+]c4c(Br)ccc(F)c34)n2)c1 ZINC000409721549 855620226 /nfs/dbraw/zinc/62/02/26/855620226.db2.gz MCHXVDKYMHHZLO-UHFFFAOYSA-N 1 2 422.261 4.432 20 30 HIEDLO CCCc1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)o1 ZINC000428304748 857146772 /nfs/dbraw/zinc/14/67/72/857146772.db2.gz YVVRKLPDCYMYHZ-SFHVURJKSA-N 1 2 417.351 4.081 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000432865581 859396223 /nfs/dbraw/zinc/39/62/23/859396223.db2.gz LYCZPWHXVRFRDF-UHFFFAOYSA-N 1 2 421.419 4.063 20 30 HIEDLO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@H](CCCC#N)c3ccccc3)s2)cc1 ZINC000433007528 859475323 /nfs/dbraw/zinc/47/53/23/859475323.db2.gz ACRRTHJQNGWUSJ-HXUWFJFHSA-N 1 2 419.554 4.301 20 30 HIEDLO Fc1ccc(C#CCSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1 ZINC000433392094 859671857 /nfs/dbraw/zinc/67/18/57/859671857.db2.gz UVOXJCLLTDRMMG-UHFFFAOYSA-N 1 2 406.530 4.205 20 30 HIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000433840955 859926838 /nfs/dbraw/zinc/92/68/38/859926838.db2.gz HPMWLQQLBCVMCS-UHFFFAOYSA-N 1 2 408.550 4.280 20 30 HIEDLO Cc1ccn(C2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)CC2)n1 ZINC000434508337 860380868 /nfs/dbraw/zinc/38/08/68/860380868.db2.gz BNMNSEQXOAXPCJ-UHFFFAOYSA-N 1 2 422.577 4.262 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000435333680 860744715 /nfs/dbraw/zinc/74/47/15/860744715.db2.gz SCMOPDCHPOFFQL-IBGZPJMESA-N 1 2 413.518 4.061 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000435333680 860744719 /nfs/dbraw/zinc/74/47/19/860744719.db2.gz SCMOPDCHPOFFQL-IBGZPJMESA-N 1 2 413.518 4.061 20 30 HIEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438855409 864349885 /nfs/dbraw/zinc/34/98/85/864349885.db2.gz ZVBOSPCFLFYOIH-JOCHJYFZSA-N 1 2 405.546 4.375 20 30 HIEDLO CC(C)(C)Oc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000439641363 864968263 /nfs/dbraw/zinc/96/82/63/864968263.db2.gz CUXWWOOFPBZCST-SFHVURJKSA-N 1 2 405.420 4.071 20 30 HIEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)c2)c1 ZINC000467992405 881838350 /nfs/dbraw/zinc/83/83/50/881838350.db2.gz DEZCRWUHXRLREC-HSZRJFAPSA-N 1 2 410.477 4.024 20 30 HIEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)c2)c1 ZINC000467992405 881838352 /nfs/dbraw/zinc/83/83/52/881838352.db2.gz DEZCRWUHXRLREC-HSZRJFAPSA-N 1 2 410.477 4.024 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)cc1 ZINC000440284392 865536238 /nfs/dbraw/zinc/53/62/38/865536238.db2.gz REEVIMAHPRZCFN-UHFFFAOYSA-N 1 2 416.447 4.403 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccsc3)C2)sc2c1CCCCC2 ZINC000468108688 881925828 /nfs/dbraw/zinc/92/58/28/881925828.db2.gz GEHVFQKBAMSAKU-GOSISDBHSA-N 1 2 415.584 4.352 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3ccsc3)C2)sc2c1CCCCC2 ZINC000468108688 881925883 /nfs/dbraw/zinc/92/58/83/881925883.db2.gz GEHVFQKBAMSAKU-GOSISDBHSA-N 1 2 415.584 4.352 20 30 HIEDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ccc(C(F)(F)F)c(C#N)n2)c1 ZINC000443507164 868073134 /nfs/dbraw/zinc/07/31/34/868073134.db2.gz FTCMUPYSIMPOOE-UHFFFAOYSA-N 1 2 403.433 4.804 20 30 HIEDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ccc(C(F)(F)F)c(C#N)n2)c1 ZINC000443507164 868073146 /nfs/dbraw/zinc/07/31/46/868073146.db2.gz FTCMUPYSIMPOOE-UHFFFAOYSA-N 1 2 403.433 4.804 20 30 HIEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000443637581 868222392 /nfs/dbraw/zinc/22/23/92/868222392.db2.gz GMDRFAHGHCXIQW-HIFRSBDPSA-N 1 2 410.449 4.255 20 30 HIEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000443637581 868222418 /nfs/dbraw/zinc/22/24/18/868222418.db2.gz GMDRFAHGHCXIQW-HIFRSBDPSA-N 1 2 410.449 4.255 20 30 HIEDLO N#CC(CC[NH+]1CCN(C(=O)c2ccsc2)CC1)(c1ccccc1)c1ccccc1 ZINC000444590744 868893371 /nfs/dbraw/zinc/89/33/71/868893371.db2.gz AAGOVDJXIIFKLN-UHFFFAOYSA-N 1 2 415.562 4.406 20 30 HIEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](c3cccc(Cl)c3)c3ccccn3)C2=O)cc1 ZINC000447890220 871803537 /nfs/dbraw/zinc/80/35/37/871803537.db2.gz VRNFEAPSHJEZAK-GOTSBHOMSA-N 1 2 416.912 4.481 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000460354685 872975747 /nfs/dbraw/zinc/97/57/47/872975747.db2.gz AUXLYLPNQONSGN-ZHRRBRCNSA-N 1 2 417.513 4.035 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000460354685 872975771 /nfs/dbraw/zinc/97/57/71/872975771.db2.gz AUXLYLPNQONSGN-ZHRRBRCNSA-N 1 2 417.513 4.035 20 30 HIEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)cc1F ZINC000461450569 874511429 /nfs/dbraw/zinc/51/14/29/874511429.db2.gz PNQYCPYLUIJPND-UHFFFAOYSA-N 1 2 404.489 4.193 20 30 HIEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000462185647 875287795 /nfs/dbraw/zinc/28/77/95/875287795.db2.gz CWYZRJULAKKACK-QHCPKHFHSA-N 1 2 414.933 4.215 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(OCC2CC2)CC1 ZINC000464820258 878072991 /nfs/dbraw/zinc/07/29/91/878072991.db2.gz VSTFPEDAJZJXLO-OAHLLOKOSA-N 1 2 401.576 4.107 20 30 HIEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)c1ccccc1 ZINC000465963387 879630906 /nfs/dbraw/zinc/63/09/06/879630906.db2.gz AVAQKXAYMCWOKZ-QHCPKHFHSA-N 1 2 404.558 4.142 20 30 HIEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)o1 ZINC000467019205 880821262 /nfs/dbraw/zinc/82/12/62/880821262.db2.gz VONVPASVRYTQEN-LJQANCHMSA-N 1 2 401.894 4.163 20 30 HIEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)o1 ZINC000467019205 880821264 /nfs/dbraw/zinc/82/12/64/880821264.db2.gz VONVPASVRYTQEN-LJQANCHMSA-N 1 2 401.894 4.163 20 30 HIEDLO C[N@H+](Cc1ccc(C#N)cc1F)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467266302 881005120 /nfs/dbraw/zinc/00/51/20/881005120.db2.gz PQVJWCGRTFYRBG-UHFFFAOYSA-N 1 2 421.310 4.242 20 30 HIEDLO C[N@@H+](Cc1ccc(C#N)cc1F)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467266302 881005135 /nfs/dbraw/zinc/00/51/35/881005135.db2.gz PQVJWCGRTFYRBG-UHFFFAOYSA-N 1 2 421.310 4.242 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469381696 883519269 /nfs/dbraw/zinc/51/92/69/883519269.db2.gz PWDGNLPMDNQMID-IERDGZPVSA-N 1 2 404.445 4.409 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469383646 883522293 /nfs/dbraw/zinc/52/22/93/883522293.db2.gz KVAKZVBPXJQOFA-JPYJTQIMSA-N 1 2 400.482 4.465 20 30 HIEDLO C[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000469391902 883545127 /nfs/dbraw/zinc/54/51/27/883545127.db2.gz WUYDWNHGWFXYAB-PGRDOPGGSA-N 1 2 400.482 4.057 20 30 HIEDLO CCC1(CC)Oc2ccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2O1 ZINC000470543310 884949789 /nfs/dbraw/zinc/94/97/89/884949789.db2.gz MJVULUMWXTUCDC-UHFFFAOYSA-N 1 2 420.513 4.195 20 30 HIEDLO C=C(C)C[N@@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)Cc1ccccc1 ZINC000470924484 885429788 /nfs/dbraw/zinc/42/97/88/885429788.db2.gz XCYYOLDXBNHQFW-UHFFFAOYSA-N 1 2 409.486 4.341 20 30 HIEDLO C=C(C)C[N@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)Cc1ccccc1 ZINC000470924484 885429797 /nfs/dbraw/zinc/42/97/97/885429797.db2.gz XCYYOLDXBNHQFW-UHFFFAOYSA-N 1 2 409.486 4.341 20 30 HIEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccc1OC(F)F ZINC000471031949 885539505 /nfs/dbraw/zinc/53/95/05/885539505.db2.gz XUJMVUHIKKPXDK-GOSISDBHSA-N 1 2 421.875 4.332 20 30 HIEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000471662347 886374532 /nfs/dbraw/zinc/37/45/32/886374532.db2.gz KYRWSPOGOARLQZ-UHFFFAOYSA-N 1 2 424.957 4.237 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1C#N ZINC000473178768 887957529 /nfs/dbraw/zinc/95/75/29/887957529.db2.gz QXZYUUHJBGYIDP-RUZDIDTESA-N 1 2 418.541 4.162 20 30 HIEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1C#N ZINC000473178768 887957536 /nfs/dbraw/zinc/95/75/36/887957536.db2.gz QXZYUUHJBGYIDP-RUZDIDTESA-N 1 2 418.541 4.162 20 30 HIEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000473183135 887961863 /nfs/dbraw/zinc/96/18/63/887961863.db2.gz GTIRPOZRVWEHCH-UYAOXDASSA-N 1 2 422.472 4.107 20 30 HIEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000473183135 887961870 /nfs/dbraw/zinc/96/18/70/887961870.db2.gz GTIRPOZRVWEHCH-UYAOXDASSA-N 1 2 422.472 4.107 20 30 HIEDLO C[C@H]1CN(c2ccc(NCc3cccn3Cc3ccccc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000475436217 890356496 /nfs/dbraw/zinc/35/64/96/890356496.db2.gz ZCWKTBVQEQLNMG-OALUTQOASA-N 1 2 401.514 4.029 20 30 HIEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000475752222 890698482 /nfs/dbraw/zinc/69/84/82/890698482.db2.gz ZLDRMFIPHLFMQS-IBGZPJMESA-N 1 2 424.520 4.120 20 30 HIEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000475752222 890698490 /nfs/dbraw/zinc/69/84/90/890698490.db2.gz ZLDRMFIPHLFMQS-IBGZPJMESA-N 1 2 424.520 4.120 20 30 HIEDLO N#Cc1ccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1F ZINC000478519521 893826419 /nfs/dbraw/zinc/82/64/19/893826419.db2.gz GVMSRSCTYLNTAX-UHFFFAOYSA-N 1 2 407.518 4.225 20 30 HIEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]CC#Cc2ccccc2)c2ccc(F)c(F)c2)c1 ZINC000479476706 894800447 /nfs/dbraw/zinc/80/04/47/894800447.db2.gz BFYLGQGQEXMCGC-QHCPKHFHSA-N 1 2 411.473 4.099 20 30 HIEDLO C=CCOc1ccccc1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480208644 895611874 /nfs/dbraw/zinc/61/18/74/895611874.db2.gz JTKRRWWKNZLRRE-QGZVFWFLSA-N 1 2 422.344 4.022 20 30 HIEDLO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)cc1 ZINC000480763629 896126313 /nfs/dbraw/zinc/12/63/13/896126313.db2.gz OIXBTFYICDPOPJ-UHFFFAOYSA-N 1 2 413.315 4.424 20 30 HIEDLO C[N@H+](Cc1ccc(C#N)cc1Br)[C@@H](CO)c1cccc(Br)c1 ZINC000481090669 896412168 /nfs/dbraw/zinc/41/21/68/896412168.db2.gz JNQKRQRGJYQZDV-KRWDZBQOSA-N 1 2 424.136 4.249 20 30 HIEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@@H](CO)c1cccc(Br)c1 ZINC000481090669 896412187 /nfs/dbraw/zinc/41/21/87/896412187.db2.gz JNQKRQRGJYQZDV-KRWDZBQOSA-N 1 2 424.136 4.249 20 30 HIEDLO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000481983794 897377030 /nfs/dbraw/zinc/37/70/30/897377030.db2.gz LNMUJKSWMNLHRE-HSZRJFAPSA-N 1 2 402.450 4.178 20 30 HIEDLO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000481983794 897377040 /nfs/dbraw/zinc/37/70/40/897377040.db2.gz LNMUJKSWMNLHRE-HSZRJFAPSA-N 1 2 402.450 4.178 20 30 HIEDLO N#CCc1ccc(OCc2cccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)c2)cc1 ZINC000487778677 902358932 /nfs/dbraw/zinc/35/89/32/902358932.db2.gz CQKBYXIYLMSGLG-UHFFFAOYSA-N 1 2 409.449 4.165 20 30 HIEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3c(C#N)cnc4ccc(C)cc43)CC2)cs1 ZINC000488128075 902626277 /nfs/dbraw/zinc/62/62/77/902626277.db2.gz PMGHXGNRTHHGKS-KRWDZBQOSA-N 1 2 421.570 4.291 20 30 HIEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3c(C#N)cnc4ccc(C)cc43)CC2)cs1 ZINC000488128075 902626282 /nfs/dbraw/zinc/62/62/82/902626282.db2.gz PMGHXGNRTHHGKS-KRWDZBQOSA-N 1 2 421.570 4.291 20 30 HIEDLO Cc1cccc([C@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)[NH+]2CCOCC2)c1 ZINC000488241849 902716624 /nfs/dbraw/zinc/71/66/24/902716624.db2.gz MHPYOMWRRHKHAI-NRFANRHFSA-N 1 2 408.452 4.179 20 30 HIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490265378 903864168 /nfs/dbraw/zinc/86/41/68/903864168.db2.gz ZQRNFLCCOVRCOQ-GHTZIAJQSA-N 1 2 414.456 4.191 20 30 HIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490265378 903864171 /nfs/dbraw/zinc/86/41/71/903864171.db2.gz ZQRNFLCCOVRCOQ-GHTZIAJQSA-N 1 2 414.456 4.191 20 30 HIEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](c4ccccc4)C3)sc2C1 ZINC000506105221 914805754 /nfs/dbraw/zinc/80/57/54/914805754.db2.gz IERQLSRDVRTRQS-OXQOHEQNSA-N 1 2 409.555 4.147 20 30 HIEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H](c4ccccc4)C3)sc2C1 ZINC000506105221 914805758 /nfs/dbraw/zinc/80/57/58/914805758.db2.gz IERQLSRDVRTRQS-OXQOHEQNSA-N 1 2 409.555 4.147 20 30 HIEDLO COCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(F)cc1Cl ZINC000491183793 904472230 /nfs/dbraw/zinc/47/22/30/904472230.db2.gz UKBCDAIAZFVKRT-UHFFFAOYSA-N 1 2 412.896 4.400 20 30 HIEDLO COCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(F)cc1Cl ZINC000491183793 904472239 /nfs/dbraw/zinc/47/22/39/904472239.db2.gz UKBCDAIAZFVKRT-UHFFFAOYSA-N 1 2 412.896 4.400 20 30 HIEDLO CC(C)CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000512449606 921170578 /nfs/dbraw/zinc/17/05/78/921170578.db2.gz IWRFZRJLNQZQJL-UHFFFAOYSA-N 1 2 415.497 4.086 20 30 HIEDLO Cc1csc(C2([NH2+]CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)CCC2)n1 ZINC000494813744 906011444 /nfs/dbraw/zinc/01/14/44/906011444.db2.gz RCHQECWDRYDQPS-UHFFFAOYSA-N 1 2 402.951 4.329 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000496203567 906628431 /nfs/dbraw/zinc/62/84/31/906628431.db2.gz LNZUTIJYSMONQT-DEOSSOPVSA-N 1 2 423.532 4.370 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000496203567 906628439 /nfs/dbraw/zinc/62/84/39/906628439.db2.gz LNZUTIJYSMONQT-DEOSSOPVSA-N 1 2 423.532 4.370 20 30 HIEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3F)CC2)c1 ZINC000512616501 921262972 /nfs/dbraw/zinc/26/29/72/921262972.db2.gz GQMNGLBUOYNFKV-UHFFFAOYSA-N 1 2 416.294 4.311 20 30 HIEDLO C=CCN(Cc1ccccc1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000499156039 908513568 /nfs/dbraw/zinc/51/35/68/908513568.db2.gz GCCHFIFLBMXIHF-FGZHOGPDSA-N 1 2 413.949 4.110 20 30 HIEDLO C=CCN(Cc1ccccc1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000499156039 908513571 /nfs/dbraw/zinc/51/35/71/908513571.db2.gz GCCHFIFLBMXIHF-FGZHOGPDSA-N 1 2 413.949 4.110 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000499176027 908531561 /nfs/dbraw/zinc/53/15/61/908531561.db2.gz NVAQMSHSBUBNPC-UXHICEINSA-N 1 2 419.978 4.171 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000499176027 908531568 /nfs/dbraw/zinc/53/15/68/908531568.db2.gz NVAQMSHSBUBNPC-UXHICEINSA-N 1 2 419.978 4.171 20 30 HIEDLO C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000499944786 909050074 /nfs/dbraw/zinc/05/00/74/909050074.db2.gz IROBVVYSEKWXHV-ZJSXRUAMSA-N 1 2 411.590 4.358 20 30 HIEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cc(C#N)ccc3C(F)(F)F)CC2)cs1 ZINC000500697647 910029668 /nfs/dbraw/zinc/02/96/68/910029668.db2.gz MUXHQTITJGBFIJ-CQSZACIVSA-N 1 2 424.492 4.453 20 30 HIEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cc(C#N)ccc3C(F)(F)F)CC2)cs1 ZINC000500697647 910029685 /nfs/dbraw/zinc/02/96/85/910029685.db2.gz MUXHQTITJGBFIJ-CQSZACIVSA-N 1 2 424.492 4.453 20 30 HIEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000500878079 910150513 /nfs/dbraw/zinc/15/05/13/910150513.db2.gz ZTYVFZYRKRDFFP-XMMPIXPASA-N 1 2 420.534 4.158 20 30 HIEDLO C=CCc1cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc(OC)c1OC ZINC000502740447 911763500 /nfs/dbraw/zinc/76/35/00/911763500.db2.gz RMIIGIIXLRMNEJ-UHFFFAOYSA-N 1 2 401.470 4.173 20 30 HIEDLO C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000503226889 912208891 /nfs/dbraw/zinc/20/88/91/912208891.db2.gz SWLCPYOHOJFFDC-QGZVFWFLSA-N 1 2 423.517 4.031 20 30 HIEDLO CC[N@H+](CCC#N)Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000506434634 915037252 /nfs/dbraw/zinc/03/72/52/915037252.db2.gz WLLYQZZYHMEDBY-UHFFFAOYSA-N 1 2 419.884 4.241 20 30 HIEDLO CC[N@@H+](CCC#N)Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000506434634 915037271 /nfs/dbraw/zinc/03/72/71/915037271.db2.gz WLLYQZZYHMEDBY-UHFFFAOYSA-N 1 2 419.884 4.241 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(SCC#N)c2)[C@H](C)C1 ZINC000508306453 917115306 /nfs/dbraw/zinc/11/53/06/917115306.db2.gz XWXMWZCANHUTAI-GOSISDBHSA-N 1 2 409.555 4.047 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(SCC#N)c2)[C@H](C)C1 ZINC000508306453 917115316 /nfs/dbraw/zinc/11/53/16/917115316.db2.gz XWXMWZCANHUTAI-GOSISDBHSA-N 1 2 409.555 4.047 20 30 HIEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000508626178 917391610 /nfs/dbraw/zinc/39/16/10/917391610.db2.gz UOLHIWPWOUPXSJ-UHFFFAOYSA-N 1 2 423.523 4.313 20 30 HIEDLO C=CCc1ccc(OCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c(OC)c1 ZINC000509249717 917943535 /nfs/dbraw/zinc/94/35/35/917943535.db2.gz YSBHZSNMBWIPKQ-INIZCTEOSA-N 1 2 415.559 4.130 20 30 HIEDLO C=CCc1ccc(OCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c(OC)c1 ZINC000509249717 917943579 /nfs/dbraw/zinc/94/35/79/917943579.db2.gz YSBHZSNMBWIPKQ-INIZCTEOSA-N 1 2 415.559 4.130 20 30 HIEDLO CCOc1ccc(C2=CC[N@H+](CC(=O)Nc3ccccc3SCC#N)CC2)cc1 ZINC000509493655 918139325 /nfs/dbraw/zinc/13/93/25/918139325.db2.gz QKJHORSZMXOIEH-UHFFFAOYSA-N 1 2 407.539 4.429 20 30 HIEDLO CCOc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)CC2)cc1 ZINC000509493655 918139333 /nfs/dbraw/zinc/13/93/33/918139333.db2.gz QKJHORSZMXOIEH-UHFFFAOYSA-N 1 2 407.539 4.429 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000512169675 920906106 /nfs/dbraw/zinc/90/61/06/920906106.db2.gz PIPLDJRZANJFMU-HXUWFJFHSA-N 1 2 409.530 4.102 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000512169675 920906121 /nfs/dbraw/zinc/90/61/21/920906121.db2.gz PIPLDJRZANJFMU-HXUWFJFHSA-N 1 2 409.530 4.102 20 30 HIEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000513536158 921876662 /nfs/dbraw/zinc/87/66/62/921876662.db2.gz FXJJKISYDDRLPK-MRXNPFEDSA-N 1 2 418.563 4.071 20 30 HIEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000513536158 921876670 /nfs/dbraw/zinc/87/66/70/921876670.db2.gz FXJJKISYDDRLPK-MRXNPFEDSA-N 1 2 418.563 4.071 20 30 HIEDLO N#Cc1ccc(OCc2ccc(C(=O)N3CC[NH2+][C@@H](c4cccc(Cl)c4)C3)o2)cc1 ZINC000513993253 922315546 /nfs/dbraw/zinc/31/55/46/922315546.db2.gz ZHZYSEZYSBUTEV-OAQYLSRUSA-N 1 2 421.884 4.170 20 30 HIEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1Cl ZINC000515816349 923369392 /nfs/dbraw/zinc/36/93/92/923369392.db2.gz VXKCOBIXYMRBQQ-KSFYIVLOSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1Cl ZINC000515816349 923369399 /nfs/dbraw/zinc/36/93/99/923369399.db2.gz VXKCOBIXYMRBQQ-KSFYIVLOSA-N 1 2 410.949 4.288 20 30 HIEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)c2)c1 ZINC000515928402 923443381 /nfs/dbraw/zinc/44/33/81/923443381.db2.gz UTOPMHISMVAAAD-UHFFFAOYSA-N 1 2 421.460 4.308 20 30 HIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)n2)cc1 ZINC000517056974 923979224 /nfs/dbraw/zinc/97/92/24/923979224.db2.gz IARPQWDQZKYYPD-INIZCTEOSA-N 1 2 412.497 4.422 20 30 HIEDLO CC(C)c1[nH+]ccn1Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000517489259 924226123 /nfs/dbraw/zinc/22/61/23/924226123.db2.gz HZGSQSRUHCCUBY-UHFFFAOYSA-N 1 2 414.918 4.381 20 30 HIEDLO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccc(OC)cc1OC ZINC000521819019 929475895 /nfs/dbraw/zinc/47/58/95/929475895.db2.gz QRZVLNMFANASLB-UHFFFAOYSA-N 1 2 409.530 4.089 20 30 HIEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccc(OC)cc1OC ZINC000521819019 929475906 /nfs/dbraw/zinc/47/59/06/929475906.db2.gz QRZVLNMFANASLB-UHFFFAOYSA-N 1 2 409.530 4.089 20 30 HIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C ZINC000521854671 929504771 /nfs/dbraw/zinc/50/47/71/929504771.db2.gz NQQSZZIAHJFEPT-UHFFFAOYSA-N 1 2 421.526 4.290 20 30 HIEDLO N#Cc1ccc(SCC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000521982888 929610347 /nfs/dbraw/zinc/61/03/47/929610347.db2.gz XTGCZXZGEBHSMG-SFHVURJKSA-N 1 2 417.937 4.224 20 30 HIEDLO N#Cc1ccc(SCC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000521982888 929610352 /nfs/dbraw/zinc/61/03/52/929610352.db2.gz XTGCZXZGEBHSMG-SFHVURJKSA-N 1 2 417.937 4.224 20 30 HIEDLO N#Cc1cccc(OCc2cccc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)c2)c1 ZINC000524505696 929654571 /nfs/dbraw/zinc/65/45/71/929654571.db2.gz KRNSRMWJUORAOB-UHFFFAOYSA-N 1 2 422.488 4.312 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000524666329 929781200 /nfs/dbraw/zinc/78/12/00/929781200.db2.gz ZWNJNJVLDKXRTQ-HNNXBMFYSA-N 1 2 417.431 4.447 20 30 HIEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532557819 931522297 /nfs/dbraw/zinc/52/22/97/931522297.db2.gz BQPMMACCUXGOQI-HNNXBMFYSA-N 1 2 417.340 4.404 20 30 HIEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532557819 931522299 /nfs/dbraw/zinc/52/22/99/931522299.db2.gz BQPMMACCUXGOQI-HNNXBMFYSA-N 1 2 417.340 4.404 20 30 HIEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532556803 931522431 /nfs/dbraw/zinc/52/24/31/931522431.db2.gz BRFKGMOZRPGBEQ-AWEZNQCLSA-N 1 2 424.501 4.177 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000532578511 931536866 /nfs/dbraw/zinc/53/68/66/931536866.db2.gz WAAPRGQZSAPEJX-KRWDZBQOSA-N 1 2 423.582 4.159 20 30 HIEDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C2 ZINC000532949847 931709176 /nfs/dbraw/zinc/70/91/76/931709176.db2.gz YOJOSIFLXJZLDI-KRWDZBQOSA-N 1 2 409.555 4.334 20 30 HIEDLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C2 ZINC000532949847 931709189 /nfs/dbraw/zinc/70/91/89/931709189.db2.gz YOJOSIFLXJZLDI-KRWDZBQOSA-N 1 2 409.555 4.334 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000533285208 931828362 /nfs/dbraw/zinc/82/83/62/931828362.db2.gz XFAQZKHKYMHFAY-APWZRJJASA-N 1 2 423.538 4.443 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000533285208 931828367 /nfs/dbraw/zinc/82/83/67/931828367.db2.gz XFAQZKHKYMHFAY-APWZRJJASA-N 1 2 423.538 4.443 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000533417596 931862673 /nfs/dbraw/zinc/86/26/73/931862673.db2.gz BHMDXZLTRNMPPR-CGZBRXJRSA-N 1 2 415.603 4.495 20 30 HIEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 ZINC000534436057 932448295 /nfs/dbraw/zinc/44/82/95/932448295.db2.gz LUOIWXWOMZUJPP-INIZCTEOSA-N 1 2 406.873 4.367 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534692885 932663213 /nfs/dbraw/zinc/66/32/13/932663213.db2.gz WDKYOAGJIUIQQI-KRWDZBQOSA-N 1 2 401.919 4.047 20 30 HIEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534692885 932663221 /nfs/dbraw/zinc/66/32/21/932663221.db2.gz WDKYOAGJIUIQQI-KRWDZBQOSA-N 1 2 401.919 4.047 20 30 HIEDLO N#CCc1ccc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)cc1 ZINC000535395228 933113168 /nfs/dbraw/zinc/11/31/68/933113168.db2.gz LJOFGVDXLVYHKW-UHFFFAOYSA-N 1 2 410.880 4.474 20 30 HIEDLO COc1c(Br)cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1Br ZINC000537623232 938337057 /nfs/dbraw/zinc/33/70/57/938337057.db2.gz ZPTVFYMGPZOKPD-JTQLQIEISA-N 1 2 402.130 4.344 20 30 HIEDLO COc1c(Br)cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1Br ZINC000537623232 938337062 /nfs/dbraw/zinc/33/70/62/938337062.db2.gz ZPTVFYMGPZOKPD-JTQLQIEISA-N 1 2 402.130 4.344 20 30 HIEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000537833983 938386031 /nfs/dbraw/zinc/38/60/31/938386031.db2.gz VAVNTTFKCSVJTQ-UHFFFAOYSA-N 1 2 411.440 4.121 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539156452 938813425 /nfs/dbraw/zinc/81/34/25/938813425.db2.gz YHXCEDXYJZGDEK-SFTDATJTSA-N 1 2 414.912 4.328 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539156452 938813426 /nfs/dbraw/zinc/81/34/26/938813426.db2.gz YHXCEDXYJZGDEK-SFTDATJTSA-N 1 2 414.912 4.328 20 30 HIEDLO COC(=O)c1cccc(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)c1C#N ZINC000539268171 938830437 /nfs/dbraw/zinc/83/04/37/938830437.db2.gz PVGWYERKDIYKEK-QFIPXVFZSA-N 1 2 404.441 4.394 20 30 HIEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1OC ZINC000539862572 938960563 /nfs/dbraw/zinc/96/05/63/938960563.db2.gz RQRSFGVDPMXZCE-OAQYLSRUSA-N 1 2 405.441 4.435 20 30 HIEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1OC ZINC000539862572 938960566 /nfs/dbraw/zinc/96/05/66/938960566.db2.gz RQRSFGVDPMXZCE-OAQYLSRUSA-N 1 2 405.441 4.435 20 30 HIEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000540038767 939046012 /nfs/dbraw/zinc/04/60/12/939046012.db2.gz OBFVNSROWUZKDV-GFCCVEGCSA-N 1 2 419.432 4.483 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@H]2CCN(c4ccc(C#N)cc4)C2=O)C3)cs1 ZINC000540100262 939071644 /nfs/dbraw/zinc/07/16/44/939071644.db2.gz JJUZWJFYPJBSFC-IBGZPJMESA-N 1 2 420.563 4.215 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@H]2CCN(c4ccc(C#N)cc4)C2=O)C3)cs1 ZINC000540100262 939071651 /nfs/dbraw/zinc/07/16/51/939071651.db2.gz JJUZWJFYPJBSFC-IBGZPJMESA-N 1 2 420.563 4.215 20 30 HIEDLO C=CCCC[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000540374292 939215551 /nfs/dbraw/zinc/21/55/51/939215551.db2.gz DTQDTMLPRWPNDD-QGZVFWFLSA-N 1 2 404.555 4.253 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1F ZINC000540638067 939326572 /nfs/dbraw/zinc/32/65/72/939326572.db2.gz GEKGGSBGHBYSMS-SFHVURJKSA-N 1 2 405.433 4.383 20 30 HIEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541087306 939455452 /nfs/dbraw/zinc/45/54/52/939455452.db2.gz YBGHXNOQJDQADC-FQEVSTJZSA-N 1 2 406.404 4.038 20 30 HIEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541087306 939455454 /nfs/dbraw/zinc/45/54/54/939455454.db2.gz YBGHXNOQJDQADC-FQEVSTJZSA-N 1 2 406.404 4.038 20 30 HIEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000541293069 939489663 /nfs/dbraw/zinc/48/96/63/939489663.db2.gz XJKUKBCDKMVSLS-NRFANRHFSA-N 1 2 415.324 4.328 20 30 HIEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000543457155 940068204 /nfs/dbraw/zinc/06/82/04/940068204.db2.gz INEPCOQTWJPADO-KSFYIVLOSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000543457155 940068206 /nfs/dbraw/zinc/06/82/06/940068206.db2.gz INEPCOQTWJPADO-KSFYIVLOSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000543457156 940068250 /nfs/dbraw/zinc/06/82/50/940068250.db2.gz INEPCOQTWJPADO-OPAMFIHVSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000543457156 940068254 /nfs/dbraw/zinc/06/82/54/940068254.db2.gz INEPCOQTWJPADO-OPAMFIHVSA-N 1 2 410.949 4.288 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C(F)F)c3Cl)CC2)cc1 ZINC000543652577 940150749 /nfs/dbraw/zinc/15/07/49/940150749.db2.gz SQFZLXHBSIGQSJ-UHFFFAOYSA-N 1 2 404.848 4.499 20 30 HIEDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000544452367 940437202 /nfs/dbraw/zinc/43/72/02/940437202.db2.gz PKTOMERKOHHWBU-RDTXWAMCSA-N 1 2 415.559 4.348 20 30 HIEDLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c3ccccc3)n2)ccc1F ZINC000544517343 940468093 /nfs/dbraw/zinc/46/80/93/940468093.db2.gz DAZLOWDWVJMVGS-IAGOWNOFSA-N 1 2 421.476 4.170 20 30 HIEDLO C=CCCCCCN(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545353859 940564325 /nfs/dbraw/zinc/56/43/25/940564325.db2.gz FUPRZAOEFJVHTM-UHFFFAOYSA-N 1 2 407.356 4.336 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000548798805 941124468 /nfs/dbraw/zinc/12/44/68/941124468.db2.gz FPZRHIWLUZKLRF-XMMPIXPASA-N 1 2 424.548 4.039 20 30 HIEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000549273485 941175973 /nfs/dbraw/zinc/17/59/73/941175973.db2.gz ZAWQPYUAXKUSNP-INIZCTEOSA-N 1 2 412.488 4.011 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000554565171 942168547 /nfs/dbraw/zinc/16/85/47/942168547.db2.gz AODHAGGTFSDDLD-UHFFFAOYSA-N 1 2 402.542 4.305 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)c1 ZINC000554798041 942244206 /nfs/dbraw/zinc/24/42/06/942244206.db2.gz NJUGLOCZVVLGSJ-XMMPIXPASA-N 1 2 416.502 4.457 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554847849 942284899 /nfs/dbraw/zinc/28/48/99/942284899.db2.gz GFGAEFNFTSHFQN-BLLLJJGKSA-N 1 2 411.493 4.490 20 30 HIEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554847849 942284907 /nfs/dbraw/zinc/28/49/07/942284907.db2.gz GFGAEFNFTSHFQN-BLLLJJGKSA-N 1 2 411.493 4.490 20 30 HIEDLO N#CC1(c2ccccn2)CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000556922077 942967536 /nfs/dbraw/zinc/96/75/36/942967536.db2.gz SNKMLRPRONCWBE-UHFFFAOYSA-N 1 2 420.738 4.434 20 30 HIEDLO CCCOc1c(Br)cc(Br)cc1C[NH2+]CC1(C#N)CC1 ZINC000559334321 943898527 /nfs/dbraw/zinc/89/85/27/943898527.db2.gz OFFWZDCQFOKPAY-UHFFFAOYSA-N 1 2 402.130 4.394 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000560726841 944311797 /nfs/dbraw/zinc/31/17/97/944311797.db2.gz YBNBZIFUGRALNG-IBGZPJMESA-N 1 2 406.530 4.394 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000568147862 946482814 /nfs/dbraw/zinc/48/28/14/946482814.db2.gz ZCZJKCMSUPVBDG-DOTOQJQBSA-N 1 2 420.328 4.437 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000568147862 946482818 /nfs/dbraw/zinc/48/28/18/946482818.db2.gz ZCZJKCMSUPVBDG-DOTOQJQBSA-N 1 2 420.328 4.437 20 30 HIEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)s1 ZINC000569156123 946826412 /nfs/dbraw/zinc/82/64/12/946826412.db2.gz QYIMQDNKTGCRKU-INIZCTEOSA-N 1 2 419.554 4.282 20 30 HIEDLO COC(=O)c1ccc(-c2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)cs2)cc1 ZINC000569406005 946868836 /nfs/dbraw/zinc/86/88/36/946868836.db2.gz AQCBYHVTTPSBSB-UHFFFAOYSA-N 1 2 421.522 4.117 20 30 HIEDLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)cs2)cc1 ZINC000569406005 946868846 /nfs/dbraw/zinc/86/88/46/946868846.db2.gz AQCBYHVTTPSBSB-UHFFFAOYSA-N 1 2 421.522 4.117 20 30 HIEDLO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000574028569 948352396 /nfs/dbraw/zinc/35/23/96/948352396.db2.gz PHZMOJUHRMVRFC-OAQYLSRUSA-N 1 2 410.518 4.373 20 30 HIEDLO N#CCCCOc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000574028569 948352402 /nfs/dbraw/zinc/35/24/02/948352402.db2.gz PHZMOJUHRMVRFC-OAQYLSRUSA-N 1 2 410.518 4.373 20 30 HIEDLO CCc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c3ccccc3)n2)cc1 ZINC000574486488 948456487 /nfs/dbraw/zinc/45/64/87/948456487.db2.gz GZXPTWNLJYXRRI-ZWKOTPCHSA-N 1 2 417.513 4.285 20 30 HIEDLO N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1Br ZINC000575090567 948589933 /nfs/dbraw/zinc/58/99/33/948589933.db2.gz CXVQUJAEGMKCAW-GOSISDBHSA-N 1 2 416.344 4.049 20 30 HIEDLO CCCc1c(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000575913702 948780792 /nfs/dbraw/zinc/78/07/92/948780792.db2.gz GQPZFGPARIKVAY-UHFFFAOYSA-N 1 2 424.508 4.122 20 30 HIEDLO N#Cc1csc(CNc2[nH+]c3cc(Br)ccc3n2Cc2ccccc2)n1 ZINC000576038956 948815441 /nfs/dbraw/zinc/81/54/41/948815441.db2.gz AVISETNEDWKOAA-UHFFFAOYSA-N 1 2 424.327 4.787 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3-n3cccc3)CC2)cc1 ZINC000576061754 948817704 /nfs/dbraw/zinc/81/77/04/948817704.db2.gz KGVTYUYWHQJRDJ-UHFFFAOYSA-N 1 2 419.916 4.352 20 30 HIEDLO CCCCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nnc1[C@H](CC)[NH+](C)C ZINC000004494696 845059706 /nfs/dbraw/zinc/05/97/06/845059706.db2.gz PRWGIACALJUTQZ-YJBOKZPZSA-N 1 2 414.579 4.082 20 30 HIEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000025059280 846915127 /nfs/dbraw/zinc/91/51/27/846915127.db2.gz XPQOPMDBXNYIHX-FQEVSTJZSA-N 1 2 403.526 4.225 20 30 HIEDLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)Cc1cccc(C#N)c1 ZINC000026326015 847126594 /nfs/dbraw/zinc/12/65/94/847126594.db2.gz ZAALEIGHVWFUDS-IBGZPJMESA-N 1 2 404.495 4.022 20 30 HIEDLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)Cc1cccc(C#N)c1 ZINC000026326015 847126599 /nfs/dbraw/zinc/12/65/99/847126599.db2.gz ZAALEIGHVWFUDS-IBGZPJMESA-N 1 2 404.495 4.022 20 30 HIEDLO CCOc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(F)F ZINC000026455625 847153331 /nfs/dbraw/zinc/15/33/31/847153331.db2.gz FUFBBQAFXHNXGL-ZDUSSCGKSA-N 1 2 421.444 4.227 20 30 HIEDLO CCOc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(F)F ZINC000026455625 847153340 /nfs/dbraw/zinc/15/33/40/847153340.db2.gz FUFBBQAFXHNXGL-ZDUSSCGKSA-N 1 2 421.444 4.227 20 30 HIEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C#N)cc1 ZINC000031660743 847924629 /nfs/dbraw/zinc/92/46/29/847924629.db2.gz GTGSZWIEUMNSNE-UHFFFAOYSA-N 1 2 403.486 4.278 20 30 HIEDLO Cc1ccc2[nH+]c(CSc3nc(N)c(C(=O)Nc4ccccc4)cc3C#N)cn2c1 ZINC000031743138 847941606 /nfs/dbraw/zinc/94/16/06/847941606.db2.gz KCKUJEFBUATCMT-UHFFFAOYSA-N 1 2 414.494 4.036 20 30 HIEDLO Cc1nc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)ccc1C#N ZINC000032354405 848010305 /nfs/dbraw/zinc/01/03/05/848010305.db2.gz LJJFTFWOCIPBSP-UHFFFAOYSA-N 1 2 420.513 4.087 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000044206654 848530901 /nfs/dbraw/zinc/53/09/01/848530901.db2.gz FQPYIXNTHMUVKG-UHFFFAOYSA-N 1 2 412.921 4.349 20 30 HIEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051050137 849429497 /nfs/dbraw/zinc/42/94/97/849429497.db2.gz WSKMQWVSGUVMCO-CABCVRRESA-N 1 2 404.536 4.008 20 30 HIEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051050137 849429499 /nfs/dbraw/zinc/42/94/99/849429499.db2.gz WSKMQWVSGUVMCO-CABCVRRESA-N 1 2 404.536 4.008 20 30 HIEDLO CC1CC[NH+](Cc2csc(NC(=O)CN(C)Cc3ccc(F)cc3F)n2)CC1 ZINC000052507439 849589872 /nfs/dbraw/zinc/58/98/72/849589872.db2.gz YEGBTNVRNCJXQG-UHFFFAOYSA-N 1 2 408.518 4.373 20 30 HIEDLO C=CCc1ccc(OCC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000059308561 850994698 /nfs/dbraw/zinc/99/46/98/850994698.db2.gz AKQUPWRPQPFBBV-KDURUIRLSA-N 1 2 424.541 4.050 20 30 HIEDLO C=CCc1ccc(OCC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000059308561 850994706 /nfs/dbraw/zinc/99/47/06/850994706.db2.gz AKQUPWRPQPFBBV-KDURUIRLSA-N 1 2 424.541 4.050 20 30 HIEDLO N#Cc1cccc(OCCSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)c1 ZINC000059407130 851005012 /nfs/dbraw/zinc/00/50/12/851005012.db2.gz YYOORYMNLWVNGW-UHFFFAOYSA-N 1 2 419.554 4.296 20 30 HIEDLO COCC[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754453 851756151 /nfs/dbraw/zinc/75/61/51/851756151.db2.gz PVMXISGGORWBMV-UHFFFAOYSA-N 1 2 415.493 4.438 20 30 HIEDLO COCC[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754453 851756158 /nfs/dbraw/zinc/75/61/58/851756158.db2.gz PVMXISGGORWBMV-UHFFFAOYSA-N 1 2 415.493 4.438 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1cccs1 ZINC000097059092 852579853 /nfs/dbraw/zinc/57/98/53/852579853.db2.gz KFQHYUZIJHSYSX-LJQANCHMSA-N 1 2 400.544 4.117 20 30 HIEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1cccs1 ZINC000097059092 852579857 /nfs/dbraw/zinc/57/98/57/852579857.db2.gz KFQHYUZIJHSYSX-LJQANCHMSA-N 1 2 400.544 4.117 20 30 HIEDLO NC(=[NH+]OCc1cc(F)cc2cccnc21)c1ccc(OCc2cccnc2)cc1 ZINC000109391831 852964346 /nfs/dbraw/zinc/96/43/46/852964346.db2.gz VBQUHEWRPVORSB-UHFFFAOYSA-N 1 2 402.429 4.185 20 30 HIEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc(C#Cc2cccs2)c1 ZINC000117065633 853342680 /nfs/dbraw/zinc/34/26/80/853342680.db2.gz HRPYIASSWAAASG-UHFFFAOYSA-N 1 2 402.523 4.465 20 30 HIEDLO N#Cc1c(F)cccc1NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000301119347 854301668 /nfs/dbraw/zinc/30/16/68/854301668.db2.gz VQTHUPDWTNBGMS-UHFFFAOYSA-N 1 2 405.452 4.170 20 30 HIEDLO C[C@H](c1nnc(Sc2snc(Cl)c2C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301940067 854499625 /nfs/dbraw/zinc/49/96/25/854499625.db2.gz YVGZWIVCAFHCSX-SECBINFHSA-N 1 2 408.915 4.162 20 30 HIEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000302993365 854713733 /nfs/dbraw/zinc/71/37/33/854713733.db2.gz MWAAAALFSBCHLD-FQEVSTJZSA-N 1 2 419.916 4.043 20 30 HIEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000302993365 854713742 /nfs/dbraw/zinc/71/37/42/854713742.db2.gz MWAAAALFSBCHLD-FQEVSTJZSA-N 1 2 419.916 4.043 20 30 HIEDLO CC(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303223146 854824028 /nfs/dbraw/zinc/82/40/28/854824028.db2.gz VMBGKLFOQPNTKY-KHCICDEESA-N 1 2 421.541 4.210 20 30 HIEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000303238387 854830885 /nfs/dbraw/zinc/83/08/85/854830885.db2.gz ZZNFSRAQSIVYHZ-FQEVSTJZSA-N 1 2 421.888 4.031 20 30 HIEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000303238387 854830889 /nfs/dbraw/zinc/83/08/89/854830889.db2.gz ZZNFSRAQSIVYHZ-FQEVSTJZSA-N 1 2 421.888 4.031 20 30 HIEDLO N#CCc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000303495496 854984859 /nfs/dbraw/zinc/98/48/59/854984859.db2.gz TXWYEGBROAVFTM-IBGZPJMESA-N 1 2 400.885 4.331 20 30 HIEDLO N#CCc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000303495496 854984868 /nfs/dbraw/zinc/98/48/68/854984868.db2.gz TXWYEGBROAVFTM-IBGZPJMESA-N 1 2 400.885 4.331 20 30 HIEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1OCC ZINC000426377530 856266043 /nfs/dbraw/zinc/26/60/43/856266043.db2.gz IKMWZCQDGMTTKR-UHFFFAOYSA-N 1 2 419.319 4.072 20 30 HIEDLO C=CCOc1c(Br)cc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1OCC ZINC000426377530 856266048 /nfs/dbraw/zinc/26/60/48/856266048.db2.gz IKMWZCQDGMTTKR-UHFFFAOYSA-N 1 2 419.319 4.072 20 30 HIEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCC(O)(CC)CC3)sc2C1 ZINC000426428478 856285599 /nfs/dbraw/zinc/28/55/99/856285599.db2.gz RWVAQPNBNAYIRQ-INIZCTEOSA-N 1 2 417.619 4.336 20 30 HIEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000429169251 857539704 /nfs/dbraw/zinc/53/97/04/857539704.db2.gz ABDMWTKKFXXHCK-HKUYNNGSSA-N 1 2 405.889 4.328 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429218339 857559610 /nfs/dbraw/zinc/55/96/10/857559610.db2.gz CUTJSSMBZCNRPG-MRXNPFEDSA-N 1 2 414.912 4.389 20 30 HIEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)sc2C1 ZINC000429309355 857598688 /nfs/dbraw/zinc/59/86/88/857598688.db2.gz MPHAOWXPXLLGCU-YYIAUSFCSA-N 1 2 417.619 4.333 20 30 HIEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)sc2C1 ZINC000429309355 857598693 /nfs/dbraw/zinc/59/86/93/857598693.db2.gz MPHAOWXPXLLGCU-YYIAUSFCSA-N 1 2 417.619 4.333 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431473148 858633016 /nfs/dbraw/zinc/63/30/16/858633016.db2.gz UBUSOCZOICCLKJ-FKBYEOEOSA-N 1 2 412.484 4.444 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431473148 858633023 /nfs/dbraw/zinc/63/30/23/858633023.db2.gz UBUSOCZOICCLKJ-FKBYEOEOSA-N 1 2 412.484 4.444 20 30 HIEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)c1 ZINC000432866135 859396435 /nfs/dbraw/zinc/39/64/35/859396435.db2.gz NLUUXKAGFUHWRE-JOCHJYFZSA-N 1 2 400.438 4.431 20 30 HIEDLO CSc1nc(C2CC2)cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C#N ZINC000433962031 860004424 /nfs/dbraw/zinc/00/44/24/860004424.db2.gz LSKVEKVYHFOPKD-UHFFFAOYSA-N 1 2 421.570 4.105 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1C ZINC000434681816 860458075 /nfs/dbraw/zinc/45/80/75/860458075.db2.gz SCSSDBQPINAITB-UHFFFAOYSA-N 1 2 421.516 4.284 20 30 HIEDLO COCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000434903346 860546567 /nfs/dbraw/zinc/54/65/67/860546567.db2.gz IUCOXUODIHBQLQ-AWEZNQCLSA-N 1 2 423.435 4.435 20 30 HIEDLO COCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000434903346 860546573 /nfs/dbraw/zinc/54/65/73/860546573.db2.gz IUCOXUODIHBQLQ-AWEZNQCLSA-N 1 2 423.435 4.435 20 30 HIEDLO C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1nc(C2CCCCC2)no1 ZINC000434987599 860587312 /nfs/dbraw/zinc/58/73/12/860587312.db2.gz VHOGKCWPUSJACZ-MRXNPFEDSA-N 1 2 405.506 4.140 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1Cl ZINC000435195277 860691098 /nfs/dbraw/zinc/69/10/98/860691098.db2.gz YFNOGAZXBBHSGC-UHFFFAOYSA-N 1 2 400.891 4.089 20 30 HIEDLO N#Cc1ccc(SCC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000435335087 860745901 /nfs/dbraw/zinc/74/59/01/860745901.db2.gz JMGKLCAGSAEQLY-UHFFFAOYSA-N 1 2 410.930 4.229 20 30 HIEDLO N#CCCCn1cc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000435678949 860958948 /nfs/dbraw/zinc/95/89/48/860958948.db2.gz ULKLUFCNXWJKFX-UHFFFAOYSA-N 1 2 411.509 4.162 20 30 HIEDLO CCCn1ccc2ccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000438284859 863760697 /nfs/dbraw/zinc/76/06/97/863760697.db2.gz QLCIUZWTXJGTPE-UHFFFAOYSA-N 1 2 401.514 4.273 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000438659158 864105805 /nfs/dbraw/zinc/10/58/05/864105805.db2.gz DUTJJEDAHFTFMM-UHFFFAOYSA-N 1 2 417.444 4.239 20 30 HIEDLO CCCc1c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1cccc(C#N)c1 ZINC000439696865 865033762 /nfs/dbraw/zinc/03/37/62/865033762.db2.gz UPCROVDIQRYMLS-VGOFRKELSA-N 1 2 417.517 4.008 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000441043633 866110304 /nfs/dbraw/zinc/11/03/04/866110304.db2.gz XNZRTJREZYYSNR-RGEOSTQVSA-N 1 2 406.933 4.244 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000441043633 866110322 /nfs/dbraw/zinc/11/03/22/866110322.db2.gz XNZRTJREZYYSNR-RGEOSTQVSA-N 1 2 406.933 4.244 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000441043632 866111809 /nfs/dbraw/zinc/11/18/09/866111809.db2.gz XNZRTJREZYYSNR-JGWIZLHMSA-N 1 2 406.933 4.244 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000441043632 866111862 /nfs/dbraw/zinc/11/18/62/866111862.db2.gz XNZRTJREZYYSNR-JGWIZLHMSA-N 1 2 406.933 4.244 20 30 HIEDLO CCOc1cc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)ccc1OC(F)F ZINC000441177817 866254603 /nfs/dbraw/zinc/25/46/03/866254603.db2.gz JGXWXVYOYBSBAL-UHFFFAOYSA-N 1 2 414.412 4.240 20 30 HIEDLO CCOc1cc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)ccc1OC(F)F ZINC000441177817 866254613 /nfs/dbraw/zinc/25/46/13/866254613.db2.gz JGXWXVYOYBSBAL-UHFFFAOYSA-N 1 2 414.412 4.240 20 30 HIEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000444588770 868891401 /nfs/dbraw/zinc/89/14/01/868891401.db2.gz FWBXFKBCSBSHFD-UHFFFAOYSA-N 1 2 418.390 4.020 20 30 HIEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000444593197 868894956 /nfs/dbraw/zinc/89/49/56/868894956.db2.gz GKNPJVUTTIONSH-UHFFFAOYSA-N 1 2 418.390 4.020 20 30 HIEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444680091 868954085 /nfs/dbraw/zinc/95/40/85/868954085.db2.gz DLQDNQYOURQGOF-DEOSSOPVSA-N 1 2 414.553 4.310 20 30 HIEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444680091 868954093 /nfs/dbraw/zinc/95/40/93/868954093.db2.gz DLQDNQYOURQGOF-DEOSSOPVSA-N 1 2 414.553 4.310 20 30 HIEDLO N#Cc1cc(F)c(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(F)c1 ZINC000445831265 869850566 /nfs/dbraw/zinc/85/05/66/869850566.db2.gz AUMJMYOUPWCGQK-KRWDZBQOSA-N 1 2 407.823 4.196 20 30 HIEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000447342475 871241727 /nfs/dbraw/zinc/24/17/27/871241727.db2.gz TYZGCANWTWJTSF-NRFANRHFSA-N 1 2 403.498 4.128 20 30 HIEDLO C=C(C)Cn1c(-c2ccoc2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460384720 873028319 /nfs/dbraw/zinc/02/83/19/873028319.db2.gz FGBLAKCBZMCFGH-UHFFFAOYSA-N 1 2 406.534 4.252 20 30 HIEDLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000461362471 874364338 /nfs/dbraw/zinc/36/43/38/874364338.db2.gz KOEKPFMQGVORLA-UXHICEINSA-N 1 2 422.598 4.478 20 30 HIEDLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000461362471 874364361 /nfs/dbraw/zinc/36/43/61/874364361.db2.gz KOEKPFMQGVORLA-UXHICEINSA-N 1 2 422.598 4.478 20 30 HIEDLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3Cl)c2C1 ZINC000462380867 875493048 /nfs/dbraw/zinc/49/30/48/875493048.db2.gz NGFHIEKLCZWXHA-CQSZACIVSA-N 1 2 403.935 4.373 20 30 HIEDLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3Cl)c2C1 ZINC000462380867 875493052 /nfs/dbraw/zinc/49/30/52/875493052.db2.gz NGFHIEKLCZWXHA-CQSZACIVSA-N 1 2 403.935 4.373 20 30 HIEDLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000463057685 876087112 /nfs/dbraw/zinc/08/71/12/876087112.db2.gz RXYFNUSZGUJQGB-IBGZPJMESA-N 1 2 405.571 4.404 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000463418976 876473869 /nfs/dbraw/zinc/47/38/69/876473869.db2.gz JGXJUTRBTVGOGZ-LJQANCHMSA-N 1 2 403.526 4.192 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000463418976 876473877 /nfs/dbraw/zinc/47/38/77/876473877.db2.gz JGXJUTRBTVGOGZ-LJQANCHMSA-N 1 2 403.526 4.192 20 30 HIEDLO COc1cccc([C@@H](C)CCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000468969036 883035530 /nfs/dbraw/zinc/03/55/30/883035530.db2.gz LLRUGHPNQQUJGX-FQEVSTJZSA-N 1 2 405.542 4.185 20 30 HIEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000465572409 879046439 /nfs/dbraw/zinc/04/64/39/879046439.db2.gz XYTZPZPBDOVTQG-VXKWHMMOSA-N 1 2 403.530 4.053 20 30 HIEDLO CC(C)CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000467385429 881167428 /nfs/dbraw/zinc/16/74/28/881167428.db2.gz MTWAONVHYGUGHL-UHFFFAOYSA-N 1 2 406.530 4.333 20 30 HIEDLO C[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H]1n1cc[nH+]c1 ZINC000469381739 883520102 /nfs/dbraw/zinc/52/01/02/883520102.db2.gz QEJGPGDEXDTFDT-FDDCHVKYSA-N 1 2 400.482 4.057 20 30 HIEDLO C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000469390794 883544012 /nfs/dbraw/zinc/54/40/12/883544012.db2.gz KLVBHZXCLUHXFP-MBSDFSHPSA-N 1 2 400.482 4.057 20 30 HIEDLO Cn1cc(-c2cc(C[N@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)on2)cn1 ZINC000469510361 883766121 /nfs/dbraw/zinc/76/61/21/883766121.db2.gz LFTUXOWZAYQCKV-UHFFFAOYSA-N 1 2 401.445 4.288 20 30 HIEDLO Cn1cc(-c2cc(C[N@@H+](Cc3ccc(C#N)cc3)Cc3cccc(F)c3)on2)cn1 ZINC000469510361 883766139 /nfs/dbraw/zinc/76/61/39/883766139.db2.gz LFTUXOWZAYQCKV-UHFFFAOYSA-N 1 2 401.445 4.288 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1C#N ZINC000469998127 884215353 /nfs/dbraw/zinc/21/53/53/884215353.db2.gz BSFFJUAQSJTSRT-QGZVFWFLSA-N 1 2 422.451 4.219 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1C#N ZINC000469998127 884215371 /nfs/dbraw/zinc/21/53/71/884215371.db2.gz BSFFJUAQSJTSRT-QGZVFWFLSA-N 1 2 422.451 4.219 20 30 HIEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470224825 884551199 /nfs/dbraw/zinc/55/11/99/884551199.db2.gz ULTQJKJVHHTNNJ-OLRZCDJHSA-N 1 2 417.962 4.017 20 30 HIEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470224825 884551210 /nfs/dbraw/zinc/55/12/10/884551210.db2.gz ULTQJKJVHHTNNJ-OLRZCDJHSA-N 1 2 417.962 4.017 20 30 HIEDLO Cc1cc([C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c2ccccc2Cl)ccc1F ZINC000470542479 884948041 /nfs/dbraw/zinc/94/80/41/884948041.db2.gz OLQNYJMAPRPSEA-JOCHJYFZSA-N 1 2 412.896 4.122 20 30 HIEDLO Cn1c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000473224452 887999298 /nfs/dbraw/zinc/99/92/98/887999298.db2.gz OTBQSFAKARHXLR-UHFFFAOYSA-N 1 2 407.905 4.051 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473427750 888148048 /nfs/dbraw/zinc/14/80/48/888148048.db2.gz OMSGVMNKSFFHAL-UHFFFAOYSA-N 1 2 414.546 4.112 20 30 HIEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000474625740 889489843 /nfs/dbraw/zinc/48/98/43/889489843.db2.gz DKDRDRWSEHKMOX-UHFFFAOYSA-N 1 2 413.437 4.329 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)C2 ZINC000474950805 889806876 /nfs/dbraw/zinc/80/68/76/889806876.db2.gz BAYPRTQHOPVCJQ-MRXNPFEDSA-N 1 2 405.527 4.196 20 30 HIEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)CC2 ZINC000474950805 889806883 /nfs/dbraw/zinc/80/68/83/889806883.db2.gz BAYPRTQHOPVCJQ-MRXNPFEDSA-N 1 2 405.527 4.196 20 30 HIEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000475358473 890284442 /nfs/dbraw/zinc/28/44/42/890284442.db2.gz OESPJHAAYIINAQ-HXUWFJFHSA-N 1 2 409.946 4.241 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000476656529 891601977 /nfs/dbraw/zinc/60/19/77/891601977.db2.gz HVCFKSVPVNAHDC-NIJIEXERSA-N 1 2 415.459 4.443 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000476656529 891601989 /nfs/dbraw/zinc/60/19/89/891601989.db2.gz HVCFKSVPVNAHDC-NIJIEXERSA-N 1 2 415.459 4.443 20 30 HIEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000476669079 891618274 /nfs/dbraw/zinc/61/82/74/891618274.db2.gz RPMRDXANEUWNOZ-KRWDZBQOSA-N 1 2 419.300 4.321 20 30 HIEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cn2c1 ZINC000477635798 892757215 /nfs/dbraw/zinc/75/72/15/892757215.db2.gz DSSYPUGIZYTWFC-UHFFFAOYSA-N 1 2 417.456 4.063 20 30 HIEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479055815 894314711 /nfs/dbraw/zinc/31/47/11/894314711.db2.gz HDVSURCYQSJIHN-LBPRGKRZSA-N 1 2 415.342 4.056 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000479861218 895195991 /nfs/dbraw/zinc/19/59/91/895195991.db2.gz YCHYJQPSLWXYIK-XSEFMFLKSA-N 1 2 424.495 4.191 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000479861218 895196005 /nfs/dbraw/zinc/19/60/05/895196005.db2.gz YCHYJQPSLWXYIK-XSEFMFLKSA-N 1 2 424.495 4.191 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c(Br)c1 ZINC000481052079 896375537 /nfs/dbraw/zinc/37/55/37/896375537.db2.gz HXVTXJJXDIFULQ-LJQANCHMSA-N 1 2 412.331 4.105 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c(Br)c1 ZINC000481052079 896375554 /nfs/dbraw/zinc/37/55/54/896375554.db2.gz HXVTXJJXDIFULQ-LJQANCHMSA-N 1 2 412.331 4.105 20 30 HIEDLO C=C(C)Cn1c(SCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)nnc1-c1ccco1 ZINC000481224060 896576750 /nfs/dbraw/zinc/57/67/50/896576750.db2.gz FACDVMCNAUVWLZ-UHFFFAOYSA-N 1 2 420.498 4.235 20 30 HIEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483235417 898879965 /nfs/dbraw/zinc/87/99/65/898879965.db2.gz LQUREHYSFUQZDY-MRXNPFEDSA-N 1 2 417.200 4.302 20 30 HIEDLO N#Cc1ccc(SCC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000484694659 900130556 /nfs/dbraw/zinc/13/05/56/900130556.db2.gz JDLRZOWWUWPMCZ-IBGZPJMESA-N 1 2 417.937 4.396 20 30 HIEDLO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000487409184 902191605 /nfs/dbraw/zinc/19/16/05/902191605.db2.gz GCCUDDMLNBVCNL-UHFFFAOYSA-N 1 2 420.513 4.176 20 30 HIEDLO CC[N@H+](Cc1ccccc1C(C)(C)C#N)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000487409184 902191614 /nfs/dbraw/zinc/19/16/14/902191614.db2.gz GCCUDDMLNBVCNL-UHFFFAOYSA-N 1 2 420.513 4.176 20 30 HIEDLO C=CCn1cccc1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000490042847 903738012 /nfs/dbraw/zinc/73/80/12/903738012.db2.gz PDSXPELARVUCBT-UHFFFAOYSA-N 1 2 400.885 4.396 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490091894 903766310 /nfs/dbraw/zinc/76/63/10/903766310.db2.gz QJMUMNHBCVBUBK-NWDGAFQWSA-N 1 2 403.495 4.477 20 30 HIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490265380 903864519 /nfs/dbraw/zinc/86/45/19/903864519.db2.gz ZQRNFLCCOVRCOQ-RXVVDRJESA-N 1 2 414.456 4.191 20 30 HIEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490265380 903864521 /nfs/dbraw/zinc/86/45/21/903864521.db2.gz ZQRNFLCCOVRCOQ-RXVVDRJESA-N 1 2 414.456 4.191 20 30 HIEDLO C[N@H+](Cc1cc(C#N)ccc1Br)[C@@H](CO)c1cccc(Br)c1 ZINC000492739674 904896717 /nfs/dbraw/zinc/89/67/17/904896717.db2.gz AZXTWWQTHWLKTH-KRWDZBQOSA-N 1 2 424.136 4.249 20 30 HIEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@@H](CO)c1cccc(Br)c1 ZINC000492739674 904896718 /nfs/dbraw/zinc/89/67/18/904896718.db2.gz AZXTWWQTHWLKTH-KRWDZBQOSA-N 1 2 424.136 4.249 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494650741 905883854 /nfs/dbraw/zinc/88/38/54/905883854.db2.gz PBLNTONFAYWSJT-NVXWUHKLSA-N 1 2 401.576 4.107 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494650741 905883858 /nfs/dbraw/zinc/88/38/58/905883858.db2.gz PBLNTONFAYWSJT-NVXWUHKLSA-N 1 2 401.576 4.107 20 30 HIEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000512521430 921212425 /nfs/dbraw/zinc/21/24/25/921212425.db2.gz FDSMYWHWVSBOJS-GOSISDBHSA-N 1 2 412.534 4.031 20 30 HIEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000512521430 921212434 /nfs/dbraw/zinc/21/24/34/921212434.db2.gz FDSMYWHWVSBOJS-GOSISDBHSA-N 1 2 412.534 4.031 20 30 HIEDLO CC(C)(C#N)CNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000512787624 921311475 /nfs/dbraw/zinc/31/14/75/921311475.db2.gz KCHYPQNPLIXCIR-OAQYLSRUSA-N 1 2 410.949 4.306 20 30 HIEDLO Cc1sc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1C ZINC000512801254 921314178 /nfs/dbraw/zinc/31/41/78/921314178.db2.gz KJGUPXWTCFZSSO-UHFFFAOYSA-N 1 2 401.507 4.166 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273541 907810233 /nfs/dbraw/zinc/81/02/33/907810233.db2.gz CUIRUAMPMRAGKH-PMACEKPBSA-N 1 2 405.901 4.258 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273541 907810235 /nfs/dbraw/zinc/81/02/35/907810235.db2.gz CUIRUAMPMRAGKH-PMACEKPBSA-N 1 2 405.901 4.258 20 30 HIEDLO C=CCOc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000499169216 908521686 /nfs/dbraw/zinc/52/16/86/908521686.db2.gz MBVGWBBDINZANG-LEWJYISDSA-N 1 2 415.921 4.098 20 30 HIEDLO C=CCOc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000499169216 908521699 /nfs/dbraw/zinc/52/16/99/908521699.db2.gz MBVGWBBDINZANG-LEWJYISDSA-N 1 2 415.921 4.098 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000499176030 908531851 /nfs/dbraw/zinc/53/18/51/908531851.db2.gz NVAQMSHSBUBNPC-WOJBJXKFSA-N 1 2 419.978 4.171 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000499176030 908531859 /nfs/dbraw/zinc/53/18/59/908531859.db2.gz NVAQMSHSBUBNPC-WOJBJXKFSA-N 1 2 419.978 4.171 20 30 HIEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000502156804 911077847 /nfs/dbraw/zinc/07/78/47/911077847.db2.gz RVUSDDDYUORDLH-GOTSBHOMSA-N 1 2 422.479 4.081 20 30 HIEDLO C[N@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000502156804 911077866 /nfs/dbraw/zinc/07/78/66/911077866.db2.gz RVUSDDDYUORDLH-GOTSBHOMSA-N 1 2 422.479 4.081 20 30 HIEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(F)cncc1F ZINC000513256020 921660693 /nfs/dbraw/zinc/66/06/93/921660693.db2.gz KGQZGWVTFJKSAL-NEPJUHHUSA-N 1 2 404.486 4.240 20 30 HIEDLO COc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1OCCCC#N ZINC000506461694 915061129 /nfs/dbraw/zinc/06/11/29/915061129.db2.gz WVJLQGNLQQAUAV-UHFFFAOYSA-N 1 2 413.949 4.349 20 30 HIEDLO COc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cc1OCCCC#N ZINC000506461694 915061144 /nfs/dbraw/zinc/06/11/44/915061144.db2.gz WVJLQGNLQQAUAV-UHFFFAOYSA-N 1 2 413.949 4.349 20 30 HIEDLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1cnc3ccc(C#N)cn13)CC2 ZINC000506807750 915558008 /nfs/dbraw/zinc/55/80/08/915558008.db2.gz VIERKCUYKVBBPE-SANMLTNESA-N 1 2 424.504 4.371 20 30 HIEDLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1cnc3ccc(C#N)cn13)CC2 ZINC000506807750 915558016 /nfs/dbraw/zinc/55/80/16/915558016.db2.gz VIERKCUYKVBBPE-SANMLTNESA-N 1 2 424.504 4.371 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)CC2)cc1 ZINC000506997593 915810679 /nfs/dbraw/zinc/81/06/79/915810679.db2.gz BUMROFRYYYPRFZ-UHFFFAOYSA-N 1 2 420.847 4.163 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507256330 916018025 /nfs/dbraw/zinc/01/80/25/916018025.db2.gz VPDUIONTRKSEOK-CQSZACIVSA-N 1 2 412.534 4.151 20 30 HIEDLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507320219 916081221 /nfs/dbraw/zinc/08/12/21/916081221.db2.gz QQAKBFZDJTZNOP-FQEVSTJZSA-N 1 2 410.521 4.374 20 30 HIEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c2ccccc21 ZINC000507982568 916827413 /nfs/dbraw/zinc/82/74/13/916827413.db2.gz FUTXJKKACOPDIF-UHFFFAOYSA-N 1 2 404.489 4.453 20 30 HIEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000508383784 917181275 /nfs/dbraw/zinc/18/12/75/917181275.db2.gz ACKGIPIIFFEKRT-UHFFFAOYSA-N 1 2 413.886 4.011 20 30 HIEDLO C=CCOc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000508420510 917208992 /nfs/dbraw/zinc/20/89/92/917208992.db2.gz FDNYAFYVMJOAFK-GOTSBHOMSA-N 1 2 402.498 4.176 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cc(Br)cs1 ZINC000510076714 918646291 /nfs/dbraw/zinc/64/62/91/918646291.db2.gz KUDQOVSCSQWOCP-CYBMUJFWSA-N 1 2 424.339 4.417 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cc(Br)cs1 ZINC000510076714 918646301 /nfs/dbraw/zinc/64/63/01/918646301.db2.gz KUDQOVSCSQWOCP-CYBMUJFWSA-N 1 2 424.339 4.417 20 30 HIEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000510790091 919258034 /nfs/dbraw/zinc/25/80/34/919258034.db2.gz FGWKQXMDTINRAL-CYBMUJFWSA-N 1 2 423.460 4.129 20 30 HIEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000510790091 919258052 /nfs/dbraw/zinc/25/80/52/919258052.db2.gz FGWKQXMDTINRAL-CYBMUJFWSA-N 1 2 423.460 4.129 20 30 HIEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000510827979 919308297 /nfs/dbraw/zinc/30/82/97/919308297.db2.gz XGKNVXOGFSOJFK-IBGZPJMESA-N 1 2 413.481 4.454 20 30 HIEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000513536157 921876090 /nfs/dbraw/zinc/87/60/90/921876090.db2.gz FXJJKISYDDRLPK-INIZCTEOSA-N 1 2 418.563 4.071 20 30 HIEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000513536157 921876092 /nfs/dbraw/zinc/87/60/92/921876092.db2.gz FXJJKISYDDRLPK-INIZCTEOSA-N 1 2 418.563 4.071 20 30 HIEDLO CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513582338 921914088 /nfs/dbraw/zinc/91/40/88/921914088.db2.gz LTNXUQHAJHZBTN-NYSBEXSLSA-N 1 2 410.315 4.246 20 30 HIEDLO CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513582338 921914095 /nfs/dbraw/zinc/91/40/95/921914095.db2.gz LTNXUQHAJHZBTN-NYSBEXSLSA-N 1 2 410.315 4.246 20 30 HIEDLO C[C@H](c1nnc(Sc2ncc(C#N)cc2Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000513645154 921967832 /nfs/dbraw/zinc/96/78/32/921967832.db2.gz IOWGYSOGUSPYPH-LLVKDONJSA-N 1 2 402.886 4.100 20 30 HIEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000514034418 922355699 /nfs/dbraw/zinc/35/56/99/922355699.db2.gz IULWWACPINPAPG-UHFFFAOYSA-N 1 2 417.488 4.306 20 30 HIEDLO Cc1cc(C(=O)[C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)c(C)n1Cc1ccco1 ZINC000515703980 923288654 /nfs/dbraw/zinc/28/86/54/923288654.db2.gz HJMDIBATFLAMMA-FQEVSTJZSA-N 1 2 419.525 4.338 20 30 HIEDLO Cc1cc(C(=O)[C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)c(C)n1Cc1ccco1 ZINC000515703980 923288662 /nfs/dbraw/zinc/28/86/62/923288662.db2.gz HJMDIBATFLAMMA-FQEVSTJZSA-N 1 2 419.525 4.338 20 30 HIEDLO Cc1nsc(N2CC[NH+](Cc3cc(C)nc(-c4ccc(Cl)cc4)n3)CC2)c1C#N ZINC000517264496 924067978 /nfs/dbraw/zinc/06/79/78/924067978.db2.gz GBBSGNWIXDOXLR-UHFFFAOYSA-N 1 2 424.961 4.064 20 30 HIEDLO C=C1CC[NH+](CC(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)CC1 ZINC000518678493 927424129 /nfs/dbraw/zinc/42/41/29/927424129.db2.gz XQRPNGXQBUNBCN-VMPITWQZSA-N 1 2 404.510 4.156 20 30 HIEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000519747625 928065921 /nfs/dbraw/zinc/06/59/21/928065921.db2.gz HXLDWWMDRIHKBC-MRXNPFEDSA-N 1 2 422.558 4.264 20 30 HIEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000519747625 928065935 /nfs/dbraw/zinc/06/59/35/928065935.db2.gz HXLDWWMDRIHKBC-MRXNPFEDSA-N 1 2 422.558 4.264 20 30 HIEDLO CC(C)[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cc(Br)ccc1F ZINC000519908847 928142532 /nfs/dbraw/zinc/14/25/32/928142532.db2.gz SZULMRNJYGTDPS-UHFFFAOYSA-N 1 2 410.331 4.141 20 30 HIEDLO CC(C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cc(Br)ccc1F ZINC000519908847 928142537 /nfs/dbraw/zinc/14/25/37/928142537.db2.gz SZULMRNJYGTDPS-UHFFFAOYSA-N 1 2 410.331 4.141 20 30 HIEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000520153366 928346409 /nfs/dbraw/zinc/34/64/09/928346409.db2.gz DBLPRBKGSAHYIS-UHFFFAOYSA-N 1 2 405.477 4.251 20 30 HIEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000521088340 928984940 /nfs/dbraw/zinc/98/49/40/928984940.db2.gz DEUZUYSTTPTITP-INIZCTEOSA-N 1 2 412.331 4.186 20 30 HIEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000521088340 928984953 /nfs/dbraw/zinc/98/49/53/928984953.db2.gz DEUZUYSTTPTITP-INIZCTEOSA-N 1 2 412.331 4.186 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(N4CCCCCC4)c3)CC2)cc1 ZINC000524933108 929897351 /nfs/dbraw/zinc/89/73/51/929897351.db2.gz KLCTUYABNWTDJZ-UHFFFAOYSA-N 1 2 417.557 4.288 20 30 HIEDLO N#Cc1cccc(CC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)c1 ZINC000530675571 930795236 /nfs/dbraw/zinc/79/52/36/930795236.db2.gz XNMNUOYJFKJZBO-UHFFFAOYSA-N 1 2 410.880 4.209 20 30 HIEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000531801558 931203760 /nfs/dbraw/zinc/20/37/60/931203760.db2.gz RYZRTDSMZBZGRI-MRXNPFEDSA-N 1 2 421.451 4.129 20 30 HIEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000531801558 931203770 /nfs/dbraw/zinc/20/37/70/931203770.db2.gz RYZRTDSMZBZGRI-MRXNPFEDSA-N 1 2 421.451 4.129 20 30 HIEDLO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000532469615 931450325 /nfs/dbraw/zinc/45/03/25/931450325.db2.gz SJABUBNYYZDKQN-IBGZPJMESA-N 1 2 421.541 4.014 20 30 HIEDLO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000532469615 931450328 /nfs/dbraw/zinc/45/03/28/931450328.db2.gz SJABUBNYYZDKQN-IBGZPJMESA-N 1 2 421.541 4.014 20 30 HIEDLO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000532584337 931543179 /nfs/dbraw/zinc/54/31/79/931543179.db2.gz RFLQEINDVSQOAD-MRXNPFEDSA-N 1 2 409.555 4.325 20 30 HIEDLO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000532584337 931543201 /nfs/dbraw/zinc/54/32/01/931543201.db2.gz RFLQEINDVSQOAD-MRXNPFEDSA-N 1 2 409.555 4.325 20 30 HIEDLO N#Cc1c(NC(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)sc2c1CCCCC2 ZINC000532642281 931564386 /nfs/dbraw/zinc/56/43/86/931564386.db2.gz SSYQKIJJCLOHPP-UHFFFAOYSA-N 1 2 409.555 4.412 20 30 HIEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000532765781 931626879 /nfs/dbraw/zinc/62/68/79/931626879.db2.gz AEWRXSSKESOQRO-UHFFFAOYSA-N 1 2 415.493 4.216 20 30 HIEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000532765781 931626880 /nfs/dbraw/zinc/62/68/80/931626880.db2.gz AEWRXSSKESOQRO-UHFFFAOYSA-N 1 2 415.493 4.216 20 30 HIEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000532963563 931716183 /nfs/dbraw/zinc/71/61/83/931716183.db2.gz AOBIQVIBCSPXHH-UHFFFAOYSA-N 1 2 400.313 4.225 20 30 HIEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000532963563 931716197 /nfs/dbraw/zinc/71/61/97/931716197.db2.gz AOBIQVIBCSPXHH-UHFFFAOYSA-N 1 2 400.313 4.225 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000533417595 931862802 /nfs/dbraw/zinc/86/28/02/931862802.db2.gz BHMDXZLTRNMPPR-AQFXKWCLSA-N 1 2 415.603 4.495 20 30 HIEDLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000533632041 931936149 /nfs/dbraw/zinc/93/61/49/931936149.db2.gz VUWCFNPXLBGLPI-SVIJTADQSA-N 1 2 400.885 4.156 20 30 HIEDLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000533632041 931936155 /nfs/dbraw/zinc/93/61/55/931936155.db2.gz VUWCFNPXLBGLPI-SVIJTADQSA-N 1 2 400.885 4.156 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)c1C#N ZINC000534204375 932329992 /nfs/dbraw/zinc/32/99/92/932329992.db2.gz FUWMQHYAULXCAK-UHFFFAOYSA-N 1 2 413.525 4.023 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)c1C#N ZINC000534204375 932329999 /nfs/dbraw/zinc/32/99/99/932329999.db2.gz FUWMQHYAULXCAK-UHFFFAOYSA-N 1 2 413.525 4.023 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000534939888 932847871 /nfs/dbraw/zinc/84/78/71/932847871.db2.gz XIUQAKMSDUODNU-UHFFFAOYSA-N 1 2 417.488 4.103 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000534939888 932847875 /nfs/dbraw/zinc/84/78/75/932847875.db2.gz XIUQAKMSDUODNU-UHFFFAOYSA-N 1 2 417.488 4.103 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3CCC(F)(F)F)CC2)cc1 ZINC000535369602 933097507 /nfs/dbraw/zinc/09/75/07/933097507.db2.gz KPAIWXMUTJTQIU-UHFFFAOYSA-N 1 2 401.432 4.011 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000535968784 933531192 /nfs/dbraw/zinc/53/11/92/933531192.db2.gz KNCFIYFDYNBJPK-HXUWFJFHSA-N 1 2 415.497 4.087 20 30 HIEDLO N#Cc1ccccc1-c1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000538071135 938494380 /nfs/dbraw/zinc/49/43/80/938494380.db2.gz FNFVZEOXNUJJHE-UHFFFAOYSA-N 1 2 411.509 4.220 20 30 HIEDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000538243934 938571776 /nfs/dbraw/zinc/57/17/76/938571776.db2.gz XWRRZTVOXIXFPN-LSDHHAIUSA-N 1 2 401.507 4.375 20 30 HIEDLO N#Cc1ccccc1COc1cccc(CNc2ccc[nH+]c2N2CCC(O)CC2)c1 ZINC000539104359 938803831 /nfs/dbraw/zinc/80/38/31/938803831.db2.gz FTDFBYWEVZUPRE-UHFFFAOYSA-N 1 2 414.509 4.105 20 30 HIEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000539536962 938875638 /nfs/dbraw/zinc/87/56/38/938875638.db2.gz HYBXYKNAFIHUTE-LJQANCHMSA-N 1 2 417.469 4.252 20 30 HIEDLO C=CCOc1ccccc1C[NH+]1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000539822796 938946135 /nfs/dbraw/zinc/94/61/35/938946135.db2.gz MTQZAJNDUIIRRT-GOSISDBHSA-N 1 2 401.576 4.123 20 30 HIEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 ZINC000541139035 939474304 /nfs/dbraw/zinc/47/43/04/939474304.db2.gz CXCDAWRBFONSMW-UHFFFAOYSA-N 1 2 402.845 4.144 20 30 HIEDLO N#Cc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1C(F)(F)F ZINC000541178832 939484516 /nfs/dbraw/zinc/48/45/16/939484516.db2.gz AQIMNYMZCRPXPW-UHFFFAOYSA-N 1 2 405.424 4.498 20 30 HIEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000541293070 939489668 /nfs/dbraw/zinc/48/96/68/939489668.db2.gz XJKUKBCDKMVSLS-OAQYLSRUSA-N 1 2 415.324 4.328 20 30 HIEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)o1 ZINC000541625182 939573932 /nfs/dbraw/zinc/57/39/32/939573932.db2.gz JRZLNVDAZRQXNZ-LJQANCHMSA-N 1 2 403.910 4.028 20 30 HIEDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000541632485 939577056 /nfs/dbraw/zinc/57/70/56/939577056.db2.gz DEVVREASNTYKOV-SKDRFNHKSA-N 1 2 400.426 4.311 20 30 HIEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ncc(-c2ccccc2)o1 ZINC000541642690 939583535 /nfs/dbraw/zinc/58/35/35/939583535.db2.gz OYPKAJHROWQECQ-SJORKVTESA-N 1 2 406.461 4.467 20 30 HIEDLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n[nH]1 ZINC000542051775 939699521 /nfs/dbraw/zinc/69/95/21/939699521.db2.gz BXYHBPCVRAFHOO-HNNXBMFYSA-N 1 2 411.575 4.127 20 30 HIEDLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)[nH]n1 ZINC000542051775 939699522 /nfs/dbraw/zinc/69/95/22/939699522.db2.gz BXYHBPCVRAFHOO-HNNXBMFYSA-N 1 2 411.575 4.127 20 30 HIEDLO COC(=O)c1cccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1C#N ZINC000542122367 939721029 /nfs/dbraw/zinc/72/10/29/939721029.db2.gz AMYALLMLPWAWKA-QFIPXVFZSA-N 1 2 405.885 4.467 20 30 HIEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccc(C)o1 ZINC000542558124 939843591 /nfs/dbraw/zinc/84/35/91/939843591.db2.gz BVXRCDJVEWFUBF-HXUWFJFHSA-N 1 2 412.534 4.299 20 30 HIEDLO CCCNc1ccc(C#N)cc1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000542660682 939852191 /nfs/dbraw/zinc/85/21/91/939852191.db2.gz UVPWVZLIBOYEGY-UHFFFAOYSA-N 1 2 400.486 4.343 20 30 HIEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C2CC2)cc1 ZINC000543246058 940006912 /nfs/dbraw/zinc/00/69/12/940006912.db2.gz IIFZVCYRLKNGTP-UHFFFAOYSA-N 1 2 402.267 4.063 20 30 HIEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc(Br)cc2F)C2CC2)cc1 ZINC000543246058 940006919 /nfs/dbraw/zinc/00/69/19/940006919.db2.gz IIFZVCYRLKNGTP-UHFFFAOYSA-N 1 2 402.267 4.063 20 30 HIEDLO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)cs1 ZINC000543516780 940092675 /nfs/dbraw/zinc/09/26/75/940092675.db2.gz AQPYDSWFWLTHJI-AWEZNQCLSA-N 1 2 423.504 4.278 20 30 HIEDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000544452366 940436893 /nfs/dbraw/zinc/43/68/93/940436893.db2.gz PKTOMERKOHHWBU-KSSFIOAISA-N 1 2 415.559 4.348 20 30 HIEDLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000544466519 940443584 /nfs/dbraw/zinc/44/35/84/940443584.db2.gz IIHBJLOKUNKHEK-ZIAGYGMSSA-N 1 2 406.511 4.441 20 30 HIEDLO Cc1cc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2)ccc1F ZINC000544517344 940469152 /nfs/dbraw/zinc/46/91/52/940469152.db2.gz DAZLOWDWVJMVGS-IRXDYDNUSA-N 1 2 421.476 4.170 20 30 HIEDLO CN(CCC#N)C(=O)CC[NH2+]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000544521038 940470718 /nfs/dbraw/zinc/47/07/18/940470718.db2.gz BNDFMIHVTJMPNP-UHFFFAOYSA-N 1 2 401.555 4.019 20 30 HIEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000547978613 941081754 /nfs/dbraw/zinc/08/17/54/941081754.db2.gz DZAWZORHCFYZFV-KSFYIVLOSA-N 1 2 410.949 4.288 20 30 HIEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000547978613 941081757 /nfs/dbraw/zinc/08/17/57/941081757.db2.gz DZAWZORHCFYZFV-KSFYIVLOSA-N 1 2 410.949 4.288 20 30 HIEDLO C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000549266300 941175331 /nfs/dbraw/zinc/17/53/31/941175331.db2.gz OJAHNLIQASPLCS-UHFFFAOYSA-N 1 2 423.586 4.370 20 30 HIEDLO C=CC[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1ccc(OC)cc1 ZINC000550308529 941312229 /nfs/dbraw/zinc/31/22/29/941312229.db2.gz YKWDYFAAEOFQHJ-UHFFFAOYSA-N 1 2 410.411 4.158 20 30 HIEDLO C=CC[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1ccc(OC)cc1 ZINC000550308529 941312232 /nfs/dbraw/zinc/31/22/32/941312232.db2.gz YKWDYFAAEOFQHJ-UHFFFAOYSA-N 1 2 410.411 4.158 20 30 HIEDLO N#CCCn1cc(C[N@H+]2CCc3ccc(Br)cc3C2)c(-c2ccncc2)n1 ZINC000551563894 941502599 /nfs/dbraw/zinc/50/25/99/941502599.db2.gz LONKQCMGVIGZNZ-UHFFFAOYSA-N 1 2 422.330 4.180 20 30 HIEDLO N#CCCn1cc(C[N@@H+]2CCc3ccc(Br)cc3C2)c(-c2ccncc2)n1 ZINC000551563894 941502601 /nfs/dbraw/zinc/50/26/01/941502601.db2.gz LONKQCMGVIGZNZ-UHFFFAOYSA-N 1 2 422.330 4.180 20 30 HIEDLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000553878559 941989271 /nfs/dbraw/zinc/98/92/71/941989271.db2.gz IBRBKSCJBJUULM-LJQANCHMSA-N 1 2 401.304 4.493 20 30 HIEDLO C=CCOc1ccc(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000553901148 941994682 /nfs/dbraw/zinc/99/46/82/941994682.db2.gz KUPDAFXNYCUAHD-QHCPKHFHSA-N 1 2 404.514 4.305 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)c1C#N ZINC000558102871 943379061 /nfs/dbraw/zinc/37/90/61/943379061.db2.gz GZWYSQMTIYMSIP-QFIPXVFZSA-N 1 2 417.488 4.276 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)c1C#N ZINC000558102871 943379067 /nfs/dbraw/zinc/37/90/67/943379067.db2.gz GZWYSQMTIYMSIP-QFIPXVFZSA-N 1 2 417.488 4.276 20 30 HIEDLO COc1cccc([C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2cc(F)ccc2OC)c1 ZINC000560259013 944209118 /nfs/dbraw/zinc/20/91/18/944209118.db2.gz YSOGMZVIZXCVNJ-XMMPIXPASA-N 1 2 416.456 4.241 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C3)cs1 ZINC000560854257 944358330 /nfs/dbraw/zinc/35/83/30/944358330.db2.gz GCBWSCOLTFOVME-CQSZACIVSA-N 1 2 414.600 4.269 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C3)cs1 ZINC000560854257 944358337 /nfs/dbraw/zinc/35/83/37/944358337.db2.gz GCBWSCOLTFOVME-CQSZACIVSA-N 1 2 414.600 4.269 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000567318248 946309483 /nfs/dbraw/zinc/30/94/83/946309483.db2.gz ZEEBUFDNWNFGLJ-UHFFFAOYSA-N 1 2 415.459 4.244 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000567318248 946309497 /nfs/dbraw/zinc/30/94/97/946309497.db2.gz ZEEBUFDNWNFGLJ-UHFFFAOYSA-N 1 2 415.459 4.244 20 30 HIEDLO C=CCn1c(Cc2ccsc2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000567523056 946359232 /nfs/dbraw/zinc/35/92/32/946359232.db2.gz JJSVHGGDUGXYOZ-UHFFFAOYSA-N 1 2 422.602 4.254 20 30 HIEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)cc1F ZINC000570612377 947314869 /nfs/dbraw/zinc/31/48/69/947314869.db2.gz YSPDJWSTUMSVJW-UHFFFAOYSA-N 1 2 407.411 4.043 20 30 HIEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c(C(F)(F)F)c1 ZINC000573859032 948313835 /nfs/dbraw/zinc/31/38/35/948313835.db2.gz XQSGHNNATGZVMU-UHFFFAOYSA-N 1 2 405.395 4.064 20 30 HIEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c(C(F)(F)F)c1 ZINC000573859032 948313843 /nfs/dbraw/zinc/31/38/43/948313843.db2.gz XQSGHNNATGZVMU-UHFFFAOYSA-N 1 2 405.395 4.064 20 30 HIEDLO C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000574502103 948461265 /nfs/dbraw/zinc/46/12/65/948461265.db2.gz LQIHQVFCUOVOSD-UHFFFAOYSA-N 1 2 420.586 4.177 20 30 HIEDLO C=CC[NH+]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC001165034506 721873970 /nfs/dbraw/zinc/87/39/70/721873970.db2.gz LZEOVCHTZMDPIP-UHFFFAOYSA-N 1 2 408.836 4.163 20 30 HIEDLO C=CC[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)Cc1cccs1 ZINC000016395487 846164627 /nfs/dbraw/zinc/16/46/27/846164627.db2.gz MJTLMCYRKOHJOM-QHCPKHFHSA-N 1 2 414.571 4.411 20 30 HIEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)Cc1cccs1 ZINC000016395487 846164633 /nfs/dbraw/zinc/16/46/33/846164633.db2.gz MJTLMCYRKOHJOM-QHCPKHFHSA-N 1 2 414.571 4.411 20 30 HIEDLO N#Cc1ccc(CN2CCC[N@@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000021406626 846438744 /nfs/dbraw/zinc/43/87/44/846438744.db2.gz GOCNAQMLQPYALU-AREMUKBSSA-N 1 2 424.548 4.446 20 30 HIEDLO N#Cc1ccc(CN2CCC[N@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000021406626 846438749 /nfs/dbraw/zinc/43/87/49/846438749.db2.gz GOCNAQMLQPYALU-AREMUKBSSA-N 1 2 424.548 4.446 20 30 HIEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026217414 847105161 /nfs/dbraw/zinc/10/51/61/847105161.db2.gz OPMOITTYZQSNSI-UHFFFAOYSA-N 1 2 406.489 4.443 20 30 HIEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000026321396 847124308 /nfs/dbraw/zinc/12/43/08/847124308.db2.gz YQYVMOGYWKCZQP-UHFFFAOYSA-N 1 2 413.474 4.456 20 30 HIEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000026321396 847124336 /nfs/dbraw/zinc/12/43/36/847124336.db2.gz YQYVMOGYWKCZQP-UHFFFAOYSA-N 1 2 413.474 4.456 20 30 HIEDLO C=CCc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc(OC)c1OC ZINC000028685019 847447472 /nfs/dbraw/zinc/44/74/72/847447472.db2.gz VSUDHKOTOZSWMI-OAHLLOKOSA-N 1 2 415.559 4.373 20 30 HIEDLO C=CCc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc(OC)c1OC ZINC000028685019 847447477 /nfs/dbraw/zinc/44/74/77/847447477.db2.gz VSUDHKOTOZSWMI-OAHLLOKOSA-N 1 2 415.559 4.373 20 30 HIEDLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000031558804 847907805 /nfs/dbraw/zinc/90/78/05/847907805.db2.gz KYRUTJJZZPAMTE-MRXNPFEDSA-N 1 2 407.905 4.140 20 30 HIEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031896719 847962853 /nfs/dbraw/zinc/96/28/53/847962853.db2.gz NMWFKSRVCLIVQW-MGPUTAFESA-N 1 2 415.896 4.071 20 30 HIEDLO N#Cc1ccccc1COc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000032158468 847989215 /nfs/dbraw/zinc/98/92/15/847989215.db2.gz LIHDCDJBSTWFHT-UHFFFAOYSA-N 1 2 422.488 4.312 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000038533430 848178582 /nfs/dbraw/zinc/17/85/82/848178582.db2.gz VIHGPGJVBHBKEN-UHFFFAOYSA-N 1 2 416.500 4.161 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCc3ccccc3C2)c1C#N ZINC000038533430 848178592 /nfs/dbraw/zinc/17/85/92/848178592.db2.gz VIHGPGJVBHBKEN-UHFFFAOYSA-N 1 2 416.500 4.161 20 30 HIEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1cccs1 ZINC000050274362 849366168 /nfs/dbraw/zinc/36/61/68/849366168.db2.gz QBZNQPXFMCONMU-FQEVSTJZSA-N 1 2 400.544 4.117 20 30 HIEDLO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1cccs1 ZINC000050274362 849366178 /nfs/dbraw/zinc/36/61/78/849366178.db2.gz QBZNQPXFMCONMU-FQEVSTJZSA-N 1 2 400.544 4.117 20 30 HIEDLO COc1cccc2sc(NC(=O)C[N@H+](C)Cc3ccc(OC)c(OC)c3)nc21 ZINC000051454625 849472345 /nfs/dbraw/zinc/47/23/45/849472345.db2.gz ICQIKCGXVANIRL-UHFFFAOYSA-N 1 2 401.488 4.042 20 30 HIEDLO COc1cccc2sc(NC(=O)C[N@@H+](C)Cc3ccc(OC)c(OC)c3)nc21 ZINC000051454625 849472348 /nfs/dbraw/zinc/47/23/48/849472348.db2.gz ICQIKCGXVANIRL-UHFFFAOYSA-N 1 2 401.488 4.042 20 30 HIEDLO Cc1ccc(C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C2CC2)o1 ZINC000052994020 849653215 /nfs/dbraw/zinc/65/32/15/849653215.db2.gz GCLQZPGHINVZMT-UHFFFAOYSA-N 1 2 406.486 4.122 20 30 HIEDLO Cc1ccc(C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C2CC2)o1 ZINC000052994020 849653218 /nfs/dbraw/zinc/65/32/18/849653218.db2.gz GCLQZPGHINVZMT-UHFFFAOYSA-N 1 2 406.486 4.122 20 30 HIEDLO COCC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063754295 851755670 /nfs/dbraw/zinc/75/56/70/851755670.db2.gz AHIQIQBLXRSCCM-OAHLLOKOSA-N 1 2 420.340 4.191 20 30 HIEDLO COCC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063754295 851755681 /nfs/dbraw/zinc/75/56/81/851755681.db2.gz AHIQIQBLXRSCCM-OAHLLOKOSA-N 1 2 420.340 4.191 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000065963661 852334136 /nfs/dbraw/zinc/33/41/36/852334136.db2.gz DGMNZAXETSNAIP-UHFFFAOYSA-N 1 2 415.603 4.064 20 30 HIEDLO Cc1cccn2cc(CC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)[nH+]c12 ZINC000116680950 853324259 /nfs/dbraw/zinc/32/42/59/853324259.db2.gz OLXGOPJKAMDEQG-UHFFFAOYSA-N 1 2 412.468 4.425 20 30 HIEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 ZINC000261414319 854253466 /nfs/dbraw/zinc/25/34/66/854253466.db2.gz FDQGBOSDDQZFIT-LJQANCHMSA-N 1 2 410.930 4.227 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000302743595 854618673 /nfs/dbraw/zinc/61/86/73/854618673.db2.gz SXUNYPHZQJFJRU-OAQYLSRUSA-N 1 2 411.571 4.293 20 30 HIEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000302743595 854618677 /nfs/dbraw/zinc/61/86/77/854618677.db2.gz SXUNYPHZQJFJRU-OAQYLSRUSA-N 1 2 411.571 4.293 20 30 HIEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000303387058 854903564 /nfs/dbraw/zinc/90/35/64/854903564.db2.gz NYONEIFVYIADHM-AVRDEDQJSA-N 1 2 403.551 4.500 20 30 HIEDLO C#CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000303387058 854903576 /nfs/dbraw/zinc/90/35/76/854903576.db2.gz NYONEIFVYIADHM-AVRDEDQJSA-N 1 2 403.551 4.500 20 30 HIEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c(C#N)c1C ZINC000426407611 856278062 /nfs/dbraw/zinc/27/80/62/856278062.db2.gz VVCJQYLBNSGWLP-FUHWJXTLSA-N 1 2 424.353 4.072 20 30 HIEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c(C#N)c1C ZINC000426407611 856278068 /nfs/dbraw/zinc/27/80/68/856278068.db2.gz VVCJQYLBNSGWLP-FUHWJXTLSA-N 1 2 424.353 4.072 20 30 HIEDLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000428783797 857336969 /nfs/dbraw/zinc/33/69/69/857336969.db2.gz KHUWMAYKSXDQBJ-CXAGYDPISA-N 1 2 423.460 4.429 20 30 HIEDLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000428783797 857336972 /nfs/dbraw/zinc/33/69/72/857336972.db2.gz KHUWMAYKSXDQBJ-CXAGYDPISA-N 1 2 423.460 4.429 20 30 HIEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000429132873 857526311 /nfs/dbraw/zinc/52/63/11/857526311.db2.gz XKBAMEOJKSGBPE-AWEZNQCLSA-N 1 2 411.868 4.111 20 30 HIEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000429132873 857526315 /nfs/dbraw/zinc/52/63/15/857526315.db2.gz XKBAMEOJKSGBPE-AWEZNQCLSA-N 1 2 411.868 4.111 20 30 HIEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000430499825 858201457 /nfs/dbraw/zinc/20/14/57/858201457.db2.gz CTRVLSLTHZLNBE-UHFFFAOYSA-N 1 2 403.486 4.057 20 30 HIEDLO N#CCSc1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000430689319 858270266 /nfs/dbraw/zinc/27/02/66/858270266.db2.gz DKDIWGNNIOCCLP-GOSISDBHSA-N 1 2 417.937 4.489 20 30 HIEDLO N#CCSc1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000430689319 858270277 /nfs/dbraw/zinc/27/02/77/858270277.db2.gz DKDIWGNNIOCCLP-GOSISDBHSA-N 1 2 417.937 4.489 20 30 HIEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)cc1OC ZINC000432952219 859445063 /nfs/dbraw/zinc/44/50/63/859445063.db2.gz WQYUYIIVXMKJJW-SFHVURJKSA-N 1 2 411.527 4.095 20 30 HIEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)cc1OC ZINC000432952219 859445074 /nfs/dbraw/zinc/44/50/74/859445074.db2.gz WQYUYIIVXMKJJW-SFHVURJKSA-N 1 2 411.527 4.095 20 30 HIEDLO Cc1ccn(C2CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n1 ZINC000434506175 860378093 /nfs/dbraw/zinc/37/80/93/860378093.db2.gz BJUNPCWNEQKCDJ-MRXNPFEDSA-N 1 2 411.575 4.058 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C1=O ZINC000434545819 860395262 /nfs/dbraw/zinc/39/52/62/860395262.db2.gz CFXSPBKQUBTNFX-QGZVFWFLSA-N 1 2 408.552 4.214 20 30 HIEDLO CCn1nccc1C1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000434797013 860497778 /nfs/dbraw/zinc/49/77/78/860497778.db2.gz SGXHQPATTBFDLZ-KRWDZBQOSA-N 1 2 411.575 4.115 20 30 HIEDLO COc1cc(OC)c2ncc(C#N)c(NCc3ccc(-n4cc[nH+]c4)c(F)c3)c2c1 ZINC000439100175 864540740 /nfs/dbraw/zinc/54/07/40/864540740.db2.gz LIZANRIJSRPZBF-UHFFFAOYSA-N 1 2 403.417 4.061 20 30 HIEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439263159 864680520 /nfs/dbraw/zinc/68/05/20/864680520.db2.gz WRZPQLOGQRHSCA-MGPUTAFESA-N 1 2 406.368 4.071 20 30 HIEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000439301935 864728965 /nfs/dbraw/zinc/72/89/65/864728965.db2.gz AZMWISNXDPPNEY-JQVVWYNYSA-N 1 2 406.530 4.462 20 30 HIEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000439301935 864728980 /nfs/dbraw/zinc/72/89/80/864728980.db2.gz AZMWISNXDPPNEY-JQVVWYNYSA-N 1 2 406.530 4.462 20 30 HIEDLO CC1(C)C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440556175 865817954 /nfs/dbraw/zinc/81/79/54/865817954.db2.gz SCWZAKDRUOVKTL-WYEJZRMESA-N 1 2 405.542 4.407 20 30 HIEDLO CC1(C)C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440556175 865817957 /nfs/dbraw/zinc/81/79/57/865817957.db2.gz SCWZAKDRUOVKTL-WYEJZRMESA-N 1 2 405.542 4.407 20 30 HIEDLO N#CC1CCC(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000440983008 866066144 /nfs/dbraw/zinc/06/61/44/866066144.db2.gz BCSVGHHPYDGTTH-LADRWXRNSA-N 1 2 406.933 4.073 20 30 HIEDLO N#CC1CCC(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000440983008 866066160 /nfs/dbraw/zinc/06/61/60/866066160.db2.gz BCSVGHHPYDGTTH-LADRWXRNSA-N 1 2 406.933 4.073 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000441095228 866191244 /nfs/dbraw/zinc/19/12/44/866191244.db2.gz QVJDGZSWXPXNPU-REWPJTCUSA-N 1 2 420.557 4.346 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000441095228 866191251 /nfs/dbraw/zinc/19/12/51/866191251.db2.gz QVJDGZSWXPXNPU-REWPJTCUSA-N 1 2 420.557 4.346 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)cc1 ZINC000441298231 866371753 /nfs/dbraw/zinc/37/17/53/866371753.db2.gz VIPFWSXTIFPNSJ-UHFFFAOYSA-N 1 2 417.534 4.059 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)cc1 ZINC000441298231 866371768 /nfs/dbraw/zinc/37/17/68/866371768.db2.gz VIPFWSXTIFPNSJ-UHFFFAOYSA-N 1 2 417.534 4.059 20 30 HIEDLO C=CCOc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1OC ZINC000441993614 867049003 /nfs/dbraw/zinc/04/90/03/867049003.db2.gz GQBRGCGGDSABDT-NRFANRHFSA-N 1 2 405.498 4.245 20 30 HIEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000443652796 868249174 /nfs/dbraw/zinc/24/91/74/868249174.db2.gz LSKQIAAQXPOHMI-CQSZACIVSA-N 1 2 412.490 4.335 20 30 HIEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000443652796 868249197 /nfs/dbraw/zinc/24/91/97/868249197.db2.gz LSKQIAAQXPOHMI-CQSZACIVSA-N 1 2 412.490 4.335 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443652614 868249960 /nfs/dbraw/zinc/24/99/60/868249960.db2.gz LFNJJTNAYXZYPA-VQIMIIECSA-N 1 2 415.896 4.268 20 30 HIEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443652614 868249986 /nfs/dbraw/zinc/24/99/86/868249986.db2.gz LFNJJTNAYXZYPA-VQIMIIECSA-N 1 2 415.896 4.268 20 30 HIEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000443652793 868250210 /nfs/dbraw/zinc/25/02/10/868250210.db2.gz LSKQIAAQXPOHMI-AWEZNQCLSA-N 1 2 412.490 4.335 20 30 HIEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000443652793 868250235 /nfs/dbraw/zinc/25/02/35/868250235.db2.gz LSKQIAAQXPOHMI-AWEZNQCLSA-N 1 2 412.490 4.335 20 30 HIEDLO N#CCCCn1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000443920306 868457962 /nfs/dbraw/zinc/45/79/62/868457962.db2.gz BTGDFQRASHZOCL-UHFFFAOYSA-N 1 2 402.498 4.030 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)Cc1ccccc1 ZINC000444034609 868569875 /nfs/dbraw/zinc/56/98/75/868569875.db2.gz IFNDAGHNVIDOMB-UHFFFAOYSA-N 1 2 423.538 4.454 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)Cc1ccccc1 ZINC000444034609 868569882 /nfs/dbraw/zinc/56/98/82/868569882.db2.gz IFNDAGHNVIDOMB-UHFFFAOYSA-N 1 2 423.538 4.454 20 30 HIEDLO CC(C)(C#N)CCCCN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000444587743 868891447 /nfs/dbraw/zinc/89/14/47/868891447.db2.gz BOUVVKOHAXSTDX-UHFFFAOYSA-N 1 2 401.580 4.068 20 30 HIEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000444664152 868942227 /nfs/dbraw/zinc/94/22/27/868942227.db2.gz PZOOLMWRMXEBLK-QGZVFWFLSA-N 1 2 404.445 4.243 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000446448032 870367520 /nfs/dbraw/zinc/36/75/20/870367520.db2.gz IMHVDXBQLPHWML-UHFFFAOYSA-N 1 2 420.538 4.101 20 30 HIEDLO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2)cc1 ZINC000446697792 870612121 /nfs/dbraw/zinc/61/21/21/870612121.db2.gz QQNBGCNZKZMIPU-UHFFFAOYSA-N 1 2 423.432 4.113 20 30 HIEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000447342476 871242145 /nfs/dbraw/zinc/24/21/45/871242145.db2.gz TYZGCANWTWJTSF-OAQYLSRUSA-N 1 2 403.498 4.128 20 30 HIEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000447343505 871244662 /nfs/dbraw/zinc/24/46/62/871244662.db2.gz YDVVKQIPCLZRBX-NYHFZMIOSA-N 1 2 417.525 4.374 20 30 HIEDLO CCC(CC)[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000460708647 873493764 /nfs/dbraw/zinc/49/37/64/873493764.db2.gz JSESHUBRFLFLKT-XMMPIXPASA-N 1 2 421.541 4.213 20 30 HIEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)cc2)c1C ZINC000461209069 874209380 /nfs/dbraw/zinc/20/93/80/874209380.db2.gz LTZXPAJNKMWXIO-UHFFFAOYSA-N 1 2 420.416 4.180 20 30 HIEDLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000461362473 874365297 /nfs/dbraw/zinc/36/52/97/874365297.db2.gz KOEKPFMQGVORLA-WOJBJXKFSA-N 1 2 422.598 4.478 20 30 HIEDLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000461362473 874365317 /nfs/dbraw/zinc/36/53/17/874365317.db2.gz KOEKPFMQGVORLA-WOJBJXKFSA-N 1 2 422.598 4.478 20 30 HIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000462264542 875390315 /nfs/dbraw/zinc/39/03/15/875390315.db2.gz ATAFKBSRQWZKMD-IBGZPJMESA-N 1 2 416.550 4.454 20 30 HIEDLO C[C@@H](c1ccsc1)[NH+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000462460622 875568603 /nfs/dbraw/zinc/56/86/03/875568603.db2.gz TWZFJQLZXWXTMD-SFHVURJKSA-N 1 2 406.555 4.178 20 30 HIEDLO N#Cc1ccc(CN2CCC([NH2+][C@H](CO)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000463246905 876304848 /nfs/dbraw/zinc/30/48/48/876304848.db2.gz YCKDKVAIJOAHEU-HXUWFJFHSA-N 1 2 404.341 4.153 20 30 HIEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccc(Br)cc3)CC2)c(C#N)c1C ZINC000503437759 912448648 /nfs/dbraw/zinc/44/86/48/912448648.db2.gz XSMKCNQKXYBGSQ-UHFFFAOYSA-N 1 2 416.319 4.349 20 30 HIEDLO C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H]1n1cc[nH+]c1 ZINC000469381742 883518736 /nfs/dbraw/zinc/51/87/36/883518736.db2.gz QEJGPGDEXDTFDT-WZONZLPQSA-N 1 2 400.482 4.057 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469461150 883672555 /nfs/dbraw/zinc/67/25/55/883672555.db2.gz PVTNGWQXJMLRNW-DLBZAZTESA-N 1 2 413.468 4.098 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469461150 883672589 /nfs/dbraw/zinc/67/25/89/883672589.db2.gz PVTNGWQXJMLRNW-DLBZAZTESA-N 1 2 413.468 4.098 20 30 HIEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1O ZINC000471176519 885738248 /nfs/dbraw/zinc/73/82/48/885738248.db2.gz LNTMBJAJRXWVCK-AWEZNQCLSA-N 1 2 413.543 4.062 20 30 HIEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1O ZINC000471176519 885738254 /nfs/dbraw/zinc/73/82/54/885738254.db2.gz LNTMBJAJRXWVCK-AWEZNQCLSA-N 1 2 413.543 4.062 20 30 HIEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cc1O ZINC000471184457 885752366 /nfs/dbraw/zinc/75/23/66/885752366.db2.gz CKCRMQCROUYTBV-UHFFFAOYSA-N 1 2 424.545 4.267 20 30 HIEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cc1O ZINC000471184457 885752382 /nfs/dbraw/zinc/75/23/82/885752382.db2.gz CKCRMQCROUYTBV-UHFFFAOYSA-N 1 2 424.545 4.267 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473156860 887935860 /nfs/dbraw/zinc/93/58/60/887935860.db2.gz AIOMULXXLDHHTH-UZUQRXQVSA-N 1 2 407.539 4.008 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473156860 887935862 /nfs/dbraw/zinc/93/58/62/887935862.db2.gz AIOMULXXLDHHTH-UZUQRXQVSA-N 1 2 407.539 4.008 20 30 HIEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000473183130 887961999 /nfs/dbraw/zinc/96/19/99/887961999.db2.gz GTIRPOZRVWEHCH-AZUAARDMSA-N 1 2 422.472 4.107 20 30 HIEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000473183130 887962000 /nfs/dbraw/zinc/96/20/00/887962000.db2.gz GTIRPOZRVWEHCH-AZUAARDMSA-N 1 2 422.472 4.107 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C#N ZINC000504729808 913464810 /nfs/dbraw/zinc/46/48/10/913464810.db2.gz GUGSEFIACVWFFH-QGZVFWFLSA-N 1 2 407.518 4.290 20 30 HIEDLO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479391833 894695960 /nfs/dbraw/zinc/69/59/60/894695960.db2.gz NGIOFRUWUAFSDD-SJKOYZFVSA-N 1 2 412.342 4.336 20 30 HIEDLO COc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000479949224 895303872 /nfs/dbraw/zinc/30/38/72/895303872.db2.gz NBDHJFQUCFDTAV-HNNXBMFYSA-N 1 2 407.539 4.233 20 30 HIEDLO COc1cccc(C2=CC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000479949224 895303888 /nfs/dbraw/zinc/30/38/88/895303888.db2.gz NBDHJFQUCFDTAV-HNNXBMFYSA-N 1 2 407.539 4.233 20 30 HIEDLO Cc1ccc2c(ncc(C#N)c2N[C@H]2CCN(c3cccc[nH+]3)C2)c1Br ZINC000480079600 895436028 /nfs/dbraw/zinc/43/60/28/895436028.db2.gz CQPJUFYVTMGHHO-HNNXBMFYSA-N 1 2 408.303 4.263 20 30 HIEDLO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)c1 ZINC000505528663 914220316 /nfs/dbraw/zinc/22/03/16/914220316.db2.gz BUGHHEOORFIYDS-NRFANRHFSA-N 1 2 418.884 4.186 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000505591946 914296995 /nfs/dbraw/zinc/29/69/95/914296995.db2.gz VWZWMKNRXCLAIK-INIZCTEOSA-N 1 2 401.457 4.303 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000505591946 914297013 /nfs/dbraw/zinc/29/70/13/914297013.db2.gz VWZWMKNRXCLAIK-INIZCTEOSA-N 1 2 401.457 4.303 20 30 HIEDLO CCS(=O)(=O)c1ccc2oc(C[N@@H+](Cc3ccc(C#N)cc3)CC(C)C)nc2c1 ZINC000483435231 899066668 /nfs/dbraw/zinc/06/66/68/899066668.db2.gz XHAPNOUWSHSVFF-UHFFFAOYSA-N 1 2 411.527 4.151 20 30 HIEDLO CCS(=O)(=O)c1ccc2oc(C[N@H+](Cc3ccc(C#N)cc3)CC(C)C)nc2c1 ZINC000483435231 899066681 /nfs/dbraw/zinc/06/66/81/899066681.db2.gz XHAPNOUWSHSVFF-UHFFFAOYSA-N 1 2 411.527 4.151 20 30 HIEDLO Cn1cc(C[N@@H+]2CCc3cc(Br)ccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000483638648 899294756 /nfs/dbraw/zinc/29/47/56/899294756.db2.gz JVPIBFMZJSUTTO-UHFFFAOYSA-N 1 2 407.315 4.280 20 30 HIEDLO Cn1cc(C[N@H+]2CCc3cc(Br)ccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000483638648 899294767 /nfs/dbraw/zinc/29/47/67/899294767.db2.gz JVPIBFMZJSUTTO-UHFFFAOYSA-N 1 2 407.315 4.280 20 30 HIEDLO N#Cc1ccc(SCC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000484694661 900130474 /nfs/dbraw/zinc/13/04/74/900130474.db2.gz JDLRZOWWUWPMCZ-LJQANCHMSA-N 1 2 417.937 4.396 20 30 HIEDLO N#Cc1ccc(N2CCC[C@H](Nc3cccc4c3CN(c3cccc[nH+]3)C4)C2=O)cc1 ZINC000484917744 900293968 /nfs/dbraw/zinc/29/39/68/900293968.db2.gz QIAKLOYCAKNMSI-QHCPKHFHSA-N 1 2 409.493 4.081 20 30 HIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000485228798 900514664 /nfs/dbraw/zinc/51/46/64/900514664.db2.gz GLHHQSXMHBOMNI-UHFFFAOYSA-N 1 2 410.497 4.077 20 30 HIEDLO C=CCOc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000485289189 900566228 /nfs/dbraw/zinc/56/62/28/900566228.db2.gz SEONDFBYBVOISG-UHFFFAOYSA-N 1 2 401.470 4.140 20 30 HIEDLO N#C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000505939184 914591299 /nfs/dbraw/zinc/59/12/99/914591299.db2.gz UCKXIQFICOBFKN-OALUTQOASA-N 1 2 419.472 4.176 20 30 HIEDLO N#C[C@@H](C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccc(C(F)(F)F)cn1 ZINC000489891079 903654537 /nfs/dbraw/zinc/65/45/37/903654537.db2.gz RQXPVFMHZZYKML-GFCCVEGCSA-N 1 2 407.302 4.109 20 30 HIEDLO CC1(C#N)CC[NH+](Cc2coc(-c3ccc(I)cc3)n2)CC1 ZINC000506048289 914743274 /nfs/dbraw/zinc/74/32/74/914743274.db2.gz WYTSIXILJCVVNJ-UHFFFAOYSA-N 1 2 407.255 4.072 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490264566 903863103 /nfs/dbraw/zinc/86/31/03/903863103.db2.gz SYPGCCFILVZWFT-VXKWHMMOSA-N 1 2 412.484 4.202 20 30 HIEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490264566 903863107 /nfs/dbraw/zinc/86/31/07/903863107.db2.gz SYPGCCFILVZWFT-VXKWHMMOSA-N 1 2 412.484 4.202 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490798318 904245160 /nfs/dbraw/zinc/24/51/60/904245160.db2.gz YENDBUBVMQQJAO-MRXNPFEDSA-N 1 2 424.526 4.450 20 30 HIEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490798318 904245165 /nfs/dbraw/zinc/24/51/65/904245165.db2.gz YENDBUBVMQQJAO-MRXNPFEDSA-N 1 2 424.526 4.450 20 30 HIEDLO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506137231 914819224 /nfs/dbraw/zinc/81/92/24/914819224.db2.gz RKQNVDYDVQHHFM-UHFFFAOYSA-N 1 2 423.494 4.127 20 30 HIEDLO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506137231 914819225 /nfs/dbraw/zinc/81/92/25/914819225.db2.gz RKQNVDYDVQHHFM-UHFFFAOYSA-N 1 2 423.494 4.127 20 30 HIEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000491328483 904539671 /nfs/dbraw/zinc/53/96/71/904539671.db2.gz HYWPLRIUCWTIDZ-IBGZPJMESA-N 1 2 409.511 4.343 20 30 HIEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000491328483 904539688 /nfs/dbraw/zinc/53/96/88/904539688.db2.gz HYWPLRIUCWTIDZ-IBGZPJMESA-N 1 2 409.511 4.343 20 30 HIEDLO COc1ccc(OC(F)F)c(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000512421746 921148377 /nfs/dbraw/zinc/14/83/77/921148377.db2.gz UWCNNGWRVYJOFR-UHFFFAOYSA-N 1 2 424.451 4.039 20 30 HIEDLO C=CCOc1ccc(C[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC000512511216 921208202 /nfs/dbraw/zinc/20/82/02/921208202.db2.gz DHPMMKIOSXKVPW-UHFFFAOYSA-N 1 2 412.125 4.461 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498273543 907810288 /nfs/dbraw/zinc/81/02/88/907810288.db2.gz CUIRUAMPMRAGKH-VQTJNVASSA-N 1 2 405.901 4.258 20 30 HIEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498273543 907810292 /nfs/dbraw/zinc/81/02/92/907810292.db2.gz CUIRUAMPMRAGKH-VQTJNVASSA-N 1 2 405.901 4.258 20 30 HIEDLO N#CCCn1cc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000513067271 921523227 /nfs/dbraw/zinc/52/32/27/921523227.db2.gz DBRNJRUENGGRPQ-UHFFFAOYSA-N 1 2 419.573 4.078 20 30 HIEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Br)cc1 ZINC000513161065 921593521 /nfs/dbraw/zinc/59/35/21/921593521.db2.gz RNVZODUQNHBNLT-LJQANCHMSA-N 1 2 405.267 4.028 20 30 HIEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)N(Cc3ccccc3)CC(F)(F)F)CC2)cc1 ZINC000502517293 911521461 /nfs/dbraw/zinc/52/14/61/911521461.db2.gz QOOLBPBIEOHXBC-UHFFFAOYSA-N 1 2 413.443 4.238 20 30 HIEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)N(Cc3ccccc3)CC(F)(F)F)CC2)cc1 ZINC000502517293 911521477 /nfs/dbraw/zinc/52/14/77/911521477.db2.gz QOOLBPBIEOHXBC-UHFFFAOYSA-N 1 2 413.443 4.238 20 30 HIEDLO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000506537452 915182214 /nfs/dbraw/zinc/18/22/14/915182214.db2.gz CDFYAOQIPVXIGB-UHFFFAOYSA-N 1 2 403.385 4.241 20 30 HIEDLO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000506537452 915182226 /nfs/dbraw/zinc/18/22/26/915182226.db2.gz CDFYAOQIPVXIGB-UHFFFAOYSA-N 1 2 403.385 4.241 20 30 HIEDLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cnc2ccc(C#N)cn12 ZINC000506790913 915520964 /nfs/dbraw/zinc/52/09/64/915520964.db2.gz UTNBLYCNDCZQPJ-UHFFFAOYSA-N 1 2 416.312 4.363 20 30 HIEDLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cnc2ccc(C#N)cn12 ZINC000506790913 915521001 /nfs/dbraw/zinc/52/10/01/915521001.db2.gz UTNBLYCNDCZQPJ-UHFFFAOYSA-N 1 2 416.312 4.363 20 30 HIEDLO CC(C)c1[nH+]ccn1Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000507268503 916031761 /nfs/dbraw/zinc/03/17/61/916031761.db2.gz CWWWDFOXXNYQMF-UHFFFAOYSA-N 1 2 414.918 4.381 20 30 HIEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)ccc1Cl ZINC000507274143 916037952 /nfs/dbraw/zinc/03/79/52/916037952.db2.gz NBQHCUVXEANOJI-QFIPXVFZSA-N 1 2 411.933 4.141 20 30 HIEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)ccc1Cl ZINC000507274143 916037971 /nfs/dbraw/zinc/03/79/71/916037971.db2.gz NBQHCUVXEANOJI-QFIPXVFZSA-N 1 2 411.933 4.141 20 30 HIEDLO CCCc1c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cnn1-c1cccc(C#N)c1 ZINC000507601180 916356649 /nfs/dbraw/zinc/35/66/49/916356649.db2.gz KSKPDXKUZLQLPR-UHFFFAOYSA-N 1 2 410.481 4.194 20 30 HIEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000508241786 917059910 /nfs/dbraw/zinc/05/99/10/917059910.db2.gz JZXISVPAFHRVJW-UHFFFAOYSA-N 1 2 417.469 4.378 20 30 HIEDLO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000508497642 917280766 /nfs/dbraw/zinc/28/07/66/917280766.db2.gz MSPPCSVPKYOBEB-UHFFFAOYSA-N 1 2 423.948 4.115 20 30 HIEDLO Clc1cccc(C#CCN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510945254 919473807 /nfs/dbraw/zinc/47/38/07/919473807.db2.gz IKIJYQANLHXQRY-UHFFFAOYSA-N 1 2 418.722 4.446 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)cc1 ZINC000511136422 919752574 /nfs/dbraw/zinc/75/25/74/919752574.db2.gz ACRKDANKAHXRDP-UHFFFAOYSA-N 1 2 422.472 4.263 20 30 HIEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)cc1 ZINC000511136422 919752586 /nfs/dbraw/zinc/75/25/86/919752586.db2.gz ACRKDANKAHXRDP-UHFFFAOYSA-N 1 2 422.472 4.263 20 30 HIEDLO N#Cc1cccc(F)c1CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000511162120 919783487 /nfs/dbraw/zinc/78/34/87/919783487.db2.gz ZOQKVOYWDBDJBY-UHFFFAOYSA-N 1 2 424.479 4.468 20 30 HIEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000513966370 922284810 /nfs/dbraw/zinc/28/48/10/922284810.db2.gz PYESWJBZXGJKEN-INIZCTEOSA-N 1 2 407.518 4.489 20 30 HIEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000513966370 922284820 /nfs/dbraw/zinc/28/48/20/922284820.db2.gz PYESWJBZXGJKEN-INIZCTEOSA-N 1 2 407.518 4.489 20 30 HIEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000520161449 928354506 /nfs/dbraw/zinc/35/45/06/928354506.db2.gz COKMEORROYXLAE-UHFFFAOYSA-N 1 2 415.541 4.213 20 30 HIEDLO CCN(C(=O)c1cccc(CC#N)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000524819551 929843232 /nfs/dbraw/zinc/84/32/32/929843232.db2.gz AHXXVMHLLYCAKZ-UHFFFAOYSA-N 1 2 405.546 4.106 20 30 HIEDLO C[C@H]1CN(c2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)c[nH+]2)C[C@H](C)O1 ZINC000525998772 930504561 /nfs/dbraw/zinc/50/45/61/930504561.db2.gz JZWSZAFSTCVIIQ-OALUTQOASA-N 1 2 416.529 4.084 20 30 HIEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000532899126 931684603 /nfs/dbraw/zinc/68/46/03/931684603.db2.gz AZYLZGXRTYIZLM-OAHLLOKOSA-N 1 2 403.885 4.255 20 30 HIEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000532899126 931684606 /nfs/dbraw/zinc/68/46/06/931684606.db2.gz AZYLZGXRTYIZLM-OAHLLOKOSA-N 1 2 403.885 4.255 20 30 HIEDLO COCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccs1 ZINC000532901885 931685226 /nfs/dbraw/zinc/68/52/26/931685226.db2.gz QZHSEJUBRWXKIR-UHFFFAOYSA-N 1 2 403.573 4.037 20 30 HIEDLO COCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccs1 ZINC000532901885 931685233 /nfs/dbraw/zinc/68/52/33/931685233.db2.gz QZHSEJUBRWXKIR-UHFFFAOYSA-N 1 2 403.573 4.037 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000533221769 931813550 /nfs/dbraw/zinc/81/35/50/931813550.db2.gz FGADWXDMBJBWOM-KRWDZBQOSA-N 1 2 407.539 4.372 20 30 HIEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000533221769 931813552 /nfs/dbraw/zinc/81/35/52/931813552.db2.gz FGADWXDMBJBWOM-KRWDZBQOSA-N 1 2 407.539 4.372 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c1C#N ZINC000533484316 931881213 /nfs/dbraw/zinc/88/12/13/931881213.db2.gz ISLNPAIRFNYNEP-JOCHJYFZSA-N 1 2 417.488 4.276 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)c1C#N ZINC000533484316 931881215 /nfs/dbraw/zinc/88/12/15/931881215.db2.gz ISLNPAIRFNYNEP-JOCHJYFZSA-N 1 2 417.488 4.276 20 30 HIEDLO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000533632040 931936550 /nfs/dbraw/zinc/93/65/50/931936550.db2.gz VUWCFNPXLBGLPI-QTJFZDIUSA-N 1 2 400.885 4.156 20 30 HIEDLO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000533632040 931936551 /nfs/dbraw/zinc/93/65/51/931936551.db2.gz VUWCFNPXLBGLPI-QTJFZDIUSA-N 1 2 400.885 4.156 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000534155537 932306048 /nfs/dbraw/zinc/30/60/48/932306048.db2.gz NACYWSCCNVIGND-SFHVURJKSA-N 1 2 418.884 4.408 20 30 HIEDLO N#CCSc1ccccc1NC(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534800277 932777570 /nfs/dbraw/zinc/77/75/70/932777570.db2.gz TXEHJADDEZGSHG-UHFFFAOYSA-N 1 2 415.522 4.268 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000534954233 932856976 /nfs/dbraw/zinc/85/69/76/932856976.db2.gz JTFYDPUVMGKAIK-QGZVFWFLSA-N 1 2 405.477 4.131 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000534954233 932856983 /nfs/dbraw/zinc/85/69/83/932856983.db2.gz JTFYDPUVMGKAIK-QGZVFWFLSA-N 1 2 405.477 4.131 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538023063 938467544 /nfs/dbraw/zinc/46/75/44/938467544.db2.gz QAGPBUCPZMQBCG-SZFUDVHCSA-N 1 2 415.896 4.070 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538023063 938467546 /nfs/dbraw/zinc/46/75/46/938467546.db2.gz QAGPBUCPZMQBCG-SZFUDVHCSA-N 1 2 415.896 4.070 20 30 HIEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(OCc2ccccn2)c1 ZINC000538153305 938524515 /nfs/dbraw/zinc/52/45/15/938524515.db2.gz PNFBSYYDYOBMNT-KRWDZBQOSA-N 1 2 411.465 4.433 20 30 HIEDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000538256157 938575458 /nfs/dbraw/zinc/57/54/58/938575458.db2.gz DUKFCLTULNHWCI-CYBMUJFWSA-N 1 2 401.507 4.326 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539133227 938808715 /nfs/dbraw/zinc/80/87/15/938808715.db2.gz QUKMTRYVDFIGRR-CTNGQTDRSA-N 1 2 417.937 4.395 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539133227 938808716 /nfs/dbraw/zinc/80/87/16/938808716.db2.gz QUKMTRYVDFIGRR-CTNGQTDRSA-N 1 2 417.937 4.395 20 30 HIEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701232 938906681 /nfs/dbraw/zinc/90/66/81/938906681.db2.gz MUXOSXKAQJFBSQ-IEBWSBKVSA-N 1 2 421.303 4.353 20 30 HIEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701232 938906688 /nfs/dbraw/zinc/90/66/88/938906688.db2.gz MUXOSXKAQJFBSQ-IEBWSBKVSA-N 1 2 421.303 4.353 20 30 HIEDLO CSc1ccc([C@@H](CNC(=O)c2c[nH]c(C#N)c2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000540910857 939415702 /nfs/dbraw/zinc/41/57/02/939415702.db2.gz LLONWYWROLEWRS-HXUWFJFHSA-N 1 2 422.579 4.199 20 30 HIEDLO CSc1ccc([C@@H](CNC(=O)c2c[nH]c(C#N)c2)[N@H+]2CCc3sccc3C2)cc1 ZINC000540910857 939415707 /nfs/dbraw/zinc/41/57/07/939415707.db2.gz LLONWYWROLEWRS-HXUWFJFHSA-N 1 2 422.579 4.199 20 30 HIEDLO N#Cc1ccc(C[NH2+][C@H](CCO)c2ccccc2Br)c(OC(F)F)c1 ZINC000541025201 939433773 /nfs/dbraw/zinc/43/37/73/939433773.db2.gz VOCBZHDNJSXLHP-MRXNPFEDSA-N 1 2 411.246 4.135 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541116902 939465938 /nfs/dbraw/zinc/46/59/38/939465938.db2.gz NDLQSRHSMTWXEI-YIILKADPSA-N 1 2 416.447 4.171 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541116902 939465950 /nfs/dbraw/zinc/46/59/50/939465950.db2.gz NDLQSRHSMTWXEI-YIILKADPSA-N 1 2 416.447 4.171 20 30 HIEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cs1 ZINC000542574822 939845501 /nfs/dbraw/zinc/84/55/01/939845501.db2.gz WQUBRGMWLFCVLR-HNNXBMFYSA-N 1 2 407.543 4.274 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022115 939896885 /nfs/dbraw/zinc/89/68/85/939896885.db2.gz WIFVPZWRVBGGKJ-PZJWPPBQSA-N 1 2 413.443 4.224 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022115 939896886 /nfs/dbraw/zinc/89/68/86/939896886.db2.gz WIFVPZWRVBGGKJ-PZJWPPBQSA-N 1 2 413.443 4.224 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@H]2/C=C/c2cccs2)c1 ZINC000543062317 939916331 /nfs/dbraw/zinc/91/63/31/939916331.db2.gz CJMRFCRZXSAMAD-VYENPZKTSA-N 1 2 400.569 4.351 20 30 HIEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCCC[C@H]2/C=C/c2cccs2)c1 ZINC000543062317 939916340 /nfs/dbraw/zinc/91/63/40/939916340.db2.gz CJMRFCRZXSAMAD-VYENPZKTSA-N 1 2 400.569 4.351 20 30 HIEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)o1 ZINC000543487175 940080467 /nfs/dbraw/zinc/08/04/67/940080467.db2.gz XHSUOXRODKNCAU-HXUWFJFHSA-N 1 2 412.534 4.163 20 30 HIEDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)n1 ZINC000543510672 940089857 /nfs/dbraw/zinc/08/98/57/940089857.db2.gz ICCOBJGUYQYZEB-INIZCTEOSA-N 1 2 419.554 4.282 20 30 HIEDLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000544459459 940439768 /nfs/dbraw/zinc/43/97/68/940439768.db2.gz SFPFZUAJQAHFJD-GFCCVEGCSA-N 1 2 402.829 4.366 20 30 HIEDLO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000544723334 940507654 /nfs/dbraw/zinc/50/76/54/940507654.db2.gz XLQSNFBYZSFTGR-SFHVURJKSA-N 1 2 423.944 4.155 20 30 HIEDLO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000544723334 940507655 /nfs/dbraw/zinc/50/76/55/940507655.db2.gz XLQSNFBYZSFTGR-SFHVURJKSA-N 1 2 423.944 4.155 20 30 HIEDLO C=CCc1ccc(OCc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c(OC)c1 ZINC000545569740 940575142 /nfs/dbraw/zinc/57/51/42/940575142.db2.gz BOEAYJJUGUXOMW-UHFFFAOYSA-N 1 2 402.454 4.298 20 30 HIEDLO N#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1Cl ZINC000547951146 941080234 /nfs/dbraw/zinc/08/02/34/941080234.db2.gz LVHIJXZRGOGPHQ-UHFFFAOYSA-N 1 2 408.914 4.479 20 30 HIEDLO N#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1Cl ZINC000547951146 941080237 /nfs/dbraw/zinc/08/02/37/941080237.db2.gz LVHIJXZRGOGPHQ-UHFFFAOYSA-N 1 2 408.914 4.479 20 30 HIEDLO CN(C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)C(c1ccccc1)c1ccccc1 ZINC000548865770 941127053 /nfs/dbraw/zinc/12/70/53/941127053.db2.gz MRHAKYHZVSABSG-UHFFFAOYSA-N 1 2 424.548 4.187 20 30 HIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000553117910 941835580 /nfs/dbraw/zinc/83/55/80/941835580.db2.gz SABDFXNYQDPCEO-JOCHJYFZSA-N 1 2 412.603 4.159 20 30 HIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000553451005 941887231 /nfs/dbraw/zinc/88/72/31/941887231.db2.gz UGCKAZYDIBMHAZ-UHFFFAOYSA-N 1 2 411.575 4.258 20 30 HIEDLO C=CCOc1ccc(CNC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000554254427 942080467 /nfs/dbraw/zinc/08/04/67/942080467.db2.gz SGXZYCXLFQJHCS-UHFFFAOYSA-N 1 2 408.546 4.095 20 30 HIEDLO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000555219957 942434557 /nfs/dbraw/zinc/43/45/57/942434557.db2.gz HSOLOLVYWCXCLH-JOCHJYFZSA-N 1 2 420.561 4.015 20 30 HIEDLO CC(C)COc1ccccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000555321783 942475927 /nfs/dbraw/zinc/47/59/27/942475927.db2.gz LEQWVABLQGRBRO-UHFFFAOYSA-N 1 2 406.486 4.163 20 30 HIEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc2c(C)cc(Br)cn12 ZINC000558412128 943552911 /nfs/dbraw/zinc/55/29/11/943552911.db2.gz RHCTVTPRDDQXAP-UHFFFAOYSA-N 1 2 404.308 4.069 20 30 HIEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc2c(C)cc(Br)cn12 ZINC000558412128 943552916 /nfs/dbraw/zinc/55/29/16/943552916.db2.gz RHCTVTPRDDQXAP-UHFFFAOYSA-N 1 2 404.308 4.069 20 30 HIEDLO N#CCC1CCN(c2cc(N3CCC(CC#N)CC3)[nH+]c(-c3ccccc3)n2)CC1 ZINC000561269685 944534753 /nfs/dbraw/zinc/53/47/53/944534753.db2.gz SMGBUHDDOWKQEE-UHFFFAOYSA-N 1 2 400.530 4.404 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1C#N ZINC000568568058 946605219 /nfs/dbraw/zinc/60/52/19/946605219.db2.gz DIGKIELREQOGLC-CYBMUJFWSA-N 1 2 404.436 4.021 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC(F)(F)[C@H](C)C2)c1C#N ZINC000568568058 946605240 /nfs/dbraw/zinc/60/52/40/946605240.db2.gz DIGKIELREQOGLC-CYBMUJFWSA-N 1 2 404.436 4.021 20 30 HIEDLO COc1cc(C[NH2+][C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)ccc1C#N ZINC000570210675 947145213 /nfs/dbraw/zinc/14/52/13/947145213.db2.gz FRRQWFPXLIVJLM-XMMPIXPASA-N 1 2 415.493 4.354 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000571245348 947565391 /nfs/dbraw/zinc/56/53/91/947565391.db2.gz UTMMWHAEQPSSNC-WMLDXEAASA-N 1 2 409.408 4.246 20 30 HIEDLO C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000571245348 947565403 /nfs/dbraw/zinc/56/54/03/947565403.db2.gz UTMMWHAEQPSSNC-WMLDXEAASA-N 1 2 409.408 4.246 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1C#N ZINC000572050849 947832942 /nfs/dbraw/zinc/83/29/42/947832942.db2.gz TULCGIFHSHHNJK-CYBMUJFWSA-N 1 2 404.436 4.021 20 30 HIEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC(F)(F)[C@H](C)C2)c1C#N ZINC000572050849 947832943 /nfs/dbraw/zinc/83/29/43/947832943.db2.gz TULCGIFHSHHNJK-CYBMUJFWSA-N 1 2 404.436 4.021 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572859379 948022759 /nfs/dbraw/zinc/02/27/59/948022759.db2.gz OVIZMYYMZGCMHR-MJGOQNOKSA-N 1 2 417.916 4.474 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572859379 948022771 /nfs/dbraw/zinc/02/27/71/948022771.db2.gz OVIZMYYMZGCMHR-MJGOQNOKSA-N 1 2 417.916 4.474 20 30 HIEDLO CCOc1ccccc1NC(=O)[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000572927581 948044178 /nfs/dbraw/zinc/04/41/78/948044178.db2.gz SXXSGQXPCNBDLL-DEOSSOPVSA-N 1 2 415.493 4.435 20 30 HIEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)n2)ccc1F ZINC000573279919 948138853 /nfs/dbraw/zinc/13/88/53/948138853.db2.gz PVQIMNCGUYQDAY-OAHLLOKOSA-N 1 2 416.460 4.307 20 30 HIEDLO Cc1c(Cl)cnc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1C#N ZINC000573349919 948160632 /nfs/dbraw/zinc/16/06/32/948160632.db2.gz RRNRXJKXKANJLV-UHFFFAOYSA-N 1 2 420.698 4.174 20 30 HIEDLO N#Cc1ccccc1COc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000574798815 948530796 /nfs/dbraw/zinc/53/07/96/948530796.db2.gz LORZKFCIEDVIIG-IFMALSPDSA-N 1 2 416.481 4.113 20 30 HIEDLO N#Cc1ccccc1COc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000574798815 948530802 /nfs/dbraw/zinc/53/08/02/948530802.db2.gz LORZKFCIEDVIIG-IFMALSPDSA-N 1 2 416.481 4.113 20 30 HIEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)Cc1cccs1 ZINC000016395486 846165154 /nfs/dbraw/zinc/16/51/54/846165154.db2.gz MJTLMCYRKOHJOM-HSZRJFAPSA-N 1 2 414.571 4.411 20 30 HIEDLO C=CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)Cc1cccs1 ZINC000016395486 846165160 /nfs/dbraw/zinc/16/51/60/846165160.db2.gz MJTLMCYRKOHJOM-HSZRJFAPSA-N 1 2 414.571 4.411 20 30 HIEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000029655814 847597838 /nfs/dbraw/zinc/59/78/38/847597838.db2.gz TVGAOHXJTJHPEC-MRXNPFEDSA-N 1 2 416.447 4.165 20 30 HIEDLO CC1CC[NH+](Cc2csc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)n2)CC1 ZINC000436455755 861810199 /nfs/dbraw/zinc/81/01/99/861810199.db2.gz UGZVFFGUOLJQKG-UHFFFAOYSA-N 1 2 407.499 4.154 20 30 HIEDLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000031558805 847907062 /nfs/dbraw/zinc/90/70/62/847907062.db2.gz KYRUTJJZZPAMTE-INIZCTEOSA-N 1 2 407.905 4.140 20 30 HIEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)Cc1ccc(Cl)s1 ZINC000032769458 848073324 /nfs/dbraw/zinc/07/33/24/848073324.db2.gz ITXWOFKBXMIMFJ-UHFFFAOYSA-N 1 2 422.982 4.189 20 30 HIEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)Cc1ccc(Cl)s1 ZINC000032769458 848073336 /nfs/dbraw/zinc/07/33/36/848073336.db2.gz ITXWOFKBXMIMFJ-UHFFFAOYSA-N 1 2 422.982 4.189 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)cc1 ZINC000046896155 848954234 /nfs/dbraw/zinc/95/42/34/848954234.db2.gz YCSWSLVRNWNKTR-UHFFFAOYSA-N 1 2 406.489 4.218 20 30 HIEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051050139 849429486 /nfs/dbraw/zinc/42/94/86/849429486.db2.gz WSKMQWVSGUVMCO-GJZGRUSLSA-N 1 2 404.536 4.008 20 30 HIEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051050139 849429490 /nfs/dbraw/zinc/42/94/90/849429490.db2.gz WSKMQWVSGUVMCO-GJZGRUSLSA-N 1 2 404.536 4.008 20 30 HIEDLO C[N@H+](CC(=O)Nc1nc(-c2cccs2)cs1)Cc1ccc2c(c1)OCCO2 ZINC000051589199 849488504 /nfs/dbraw/zinc/48/85/04/849488504.db2.gz LWRCPNMCGAOJGY-UHFFFAOYSA-N 1 2 401.513 4.363 20 30 HIEDLO C[N@@H+](CC(=O)Nc1nc(-c2cccs2)cs1)Cc1ccc2c(c1)OCCO2 ZINC000051589199 849488509 /nfs/dbraw/zinc/48/85/09/849488509.db2.gz LWRCPNMCGAOJGY-UHFFFAOYSA-N 1 2 401.513 4.363 20 30 HIEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000063300628 851654768 /nfs/dbraw/zinc/65/47/68/851654768.db2.gz DEUZUYSTTPTITP-MRXNPFEDSA-N 1 2 412.331 4.186 20 30 HIEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000063300628 851654770 /nfs/dbraw/zinc/65/47/70/851654770.db2.gz DEUZUYSTTPTITP-MRXNPFEDSA-N 1 2 412.331 4.186 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c2ccccc21 ZINC000096966505 852564052 /nfs/dbraw/zinc/56/40/52/852564052.db2.gz GKPVMNAEWGJVMQ-SFHVURJKSA-N 1 2 407.539 4.480 20 30 HIEDLO N#CCCn1cc(C(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c2ccccc21 ZINC000096966505 852564058 /nfs/dbraw/zinc/56/40/58/852564058.db2.gz GKPVMNAEWGJVMQ-SFHVURJKSA-N 1 2 407.539 4.480 20 30 HIEDLO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000139804497 853422066 /nfs/dbraw/zinc/42/20/66/853422066.db2.gz JCDZLGLKHYAYEJ-CYBMUJFWSA-N 1 2 406.408 4.205 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c1C#N ZINC000217776767 853862193 /nfs/dbraw/zinc/86/21/93/853862193.db2.gz JWDGYRGIIOOUSH-QFIPXVFZSA-N 1 2 401.514 4.080 20 30 HIEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c1C#N ZINC000217776767 853862196 /nfs/dbraw/zinc/86/21/96/853862196.db2.gz JWDGYRGIIOOUSH-QFIPXVFZSA-N 1 2 401.514 4.080 20 30 HIEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426095599 856104315 /nfs/dbraw/zinc/10/43/15/856104315.db2.gz FWVRAMCZCHLCGM-UNMCSNQZSA-N 1 2 401.470 4.204 20 30 HIEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000428346266 857164146 /nfs/dbraw/zinc/16/41/46/857164146.db2.gz DZNSNITUORPMGY-SFHVURJKSA-N 1 2 403.461 4.052 20 30 HIEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000428346266 857164151 /nfs/dbraw/zinc/16/41/51/857164151.db2.gz DZNSNITUORPMGY-SFHVURJKSA-N 1 2 403.461 4.052 20 30 HIEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)cc1OCCCO ZINC000428950642 857432516 /nfs/dbraw/zinc/43/25/16/857432516.db2.gz GESUTPISZUSUPU-CYBMUJFWSA-N 1 2 407.283 4.072 20 30 HIEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000429169253 857539447 /nfs/dbraw/zinc/53/94/47/857539447.db2.gz ABDMWTKKFXXHCK-IEBWSBKVSA-N 1 2 405.889 4.328 20 30 HIEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)cc1 ZINC000433234853 859582207 /nfs/dbraw/zinc/58/22/07/859582207.db2.gz LNTFSLPFAJSRND-JOCHJYFZSA-N 1 2 400.438 4.431 20 30 HIEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1cccc(C#N)c1 ZINC000434832017 860511402 /nfs/dbraw/zinc/51/14/02/860511402.db2.gz YYXDZTZFHZBUOW-UHFFFAOYSA-N 1 2 403.482 4.226 20 30 HIEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1cccc(C#N)c1 ZINC000434832017 860511407 /nfs/dbraw/zinc/51/14/07/860511407.db2.gz YYXDZTZFHZBUOW-UHFFFAOYSA-N 1 2 403.482 4.226 20 30 HIEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)c1 ZINC000435552987 860870323 /nfs/dbraw/zinc/87/03/23/860870323.db2.gz ZDISBAHSQMEYAY-SFHVURJKSA-N 1 2 422.529 4.265 20 30 HIEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000439301938 864729316 /nfs/dbraw/zinc/72/93/16/864729316.db2.gz AZMWISNXDPPNEY-WOIUINJBSA-N 1 2 406.530 4.462 20 30 HIEDLO CCCc1c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1cccc(C#N)c1 ZINC000439696866 865033501 /nfs/dbraw/zinc/03/35/01/865033501.db2.gz UPCROVDIQRYMLS-VGSWGCGISA-N 1 2 417.517 4.008 20 30 HIEDLO COc1c(C)c[nH+]c(CN(Cc2ccc(C#N)cc2)c2ccc3[nH]c(=O)[nH]c3c2)c1C ZINC000440729476 865878075 /nfs/dbraw/zinc/87/80/75/865878075.db2.gz GKBCITPMLSGTDX-UHFFFAOYSA-N 1 2 413.481 4.367 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c1C#N ZINC000440899460 865996107 /nfs/dbraw/zinc/99/61/07/865996107.db2.gz SUYGLQOEKBGLTP-KRWDZBQOSA-N 1 2 406.486 4.375 20 30 HIEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)c1C#N ZINC000440899460 865996124 /nfs/dbraw/zinc/99/61/24/865996124.db2.gz SUYGLQOEKBGLTP-KRWDZBQOSA-N 1 2 406.486 4.375 20 30 HIEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000441043634 866110885 /nfs/dbraw/zinc/11/08/85/866110885.db2.gz XNZRTJREZYYSNR-UHHKXXHQSA-N 1 2 406.933 4.244 20 30 HIEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000441043634 866110899 /nfs/dbraw/zinc/11/08/99/866110899.db2.gz XNZRTJREZYYSNR-UHHKXXHQSA-N 1 2 406.933 4.244 20 30 HIEDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](CC#Cc3ccccc3Cl)CC2)cs1 ZINC000441158129 866245135 /nfs/dbraw/zinc/24/51/35/866245135.db2.gz VYXTYEDEYJVHOS-KRWDZBQOSA-N 1 2 403.979 4.063 20 30 HIEDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](CC#Cc3ccccc3Cl)CC2)cs1 ZINC000441158129 866245152 /nfs/dbraw/zinc/24/51/52/866245152.db2.gz VYXTYEDEYJVHOS-KRWDZBQOSA-N 1 2 403.979 4.063 20 30 HIEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442207102 867229036 /nfs/dbraw/zinc/22/90/36/867229036.db2.gz KHTSYSXKZINQTB-OAQYLSRUSA-N 1 2 403.486 4.333 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c1C ZINC000468285082 882207613 /nfs/dbraw/zinc/20/76/13/882207613.db2.gz CHMCCFJZFDPUDQ-IBGZPJMESA-N 1 2 409.555 4.349 20 30 HIEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)c1C ZINC000468285082 882207632 /nfs/dbraw/zinc/20/76/32/882207632.db2.gz CHMCCFJZFDPUDQ-IBGZPJMESA-N 1 2 409.555 4.349 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000444709436 868968380 /nfs/dbraw/zinc/96/83/80/868968380.db2.gz TXHNVZKJIYPYQZ-OAHLLOKOSA-N 1 2 422.426 4.318 20 30 HIEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000444709436 868968385 /nfs/dbraw/zinc/96/83/85/868968385.db2.gz TXHNVZKJIYPYQZ-OAHLLOKOSA-N 1 2 422.426 4.318 20 30 HIEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000445044730 869190247 /nfs/dbraw/zinc/19/02/47/869190247.db2.gz ZUMCUDVUJBKRKK-UHFFFAOYSA-N 1 2 412.921 4.349 20 30 HIEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000447344526 871245625 /nfs/dbraw/zinc/24/56/25/871245625.db2.gz ZWRKWVJOGDLYIR-MWTRTKDXSA-N 1 2 413.949 4.344 20 30 HIEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000447344525 871245983 /nfs/dbraw/zinc/24/59/83/871245983.db2.gz ZWRKWVJOGDLYIR-HJPURHCSSA-N 1 2 413.949 4.344 20 30 HIEDLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000447374671 871280685 /nfs/dbraw/zinc/28/06/85/871280685.db2.gz OOTBRGIHOXVCTM-MRXNPFEDSA-N 1 2 406.461 4.276 20 30 HIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447852523 871771654 /nfs/dbraw/zinc/77/16/54/871771654.db2.gz APGIUQHHPCZGGL-PKTZIBPZSA-N 1 2 413.525 4.260 20 30 HIEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447852523 871771666 /nfs/dbraw/zinc/77/16/66/871771666.db2.gz APGIUQHHPCZGGL-PKTZIBPZSA-N 1 2 413.525 4.260 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000460813475 873694202 /nfs/dbraw/zinc/69/42/02/873694202.db2.gz CXIYOZYLUCRUFO-SFTDATJTSA-N 1 2 414.336 4.313 20 30 HIEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000461387082 874393260 /nfs/dbraw/zinc/39/32/60/874393260.db2.gz LBFJCZHIKDIUPE-UHFFFAOYSA-N 1 2 419.554 4.261 20 30 HIEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000461387082 874393277 /nfs/dbraw/zinc/39/32/77/874393277.db2.gz LBFJCZHIKDIUPE-UHFFFAOYSA-N 1 2 419.554 4.261 20 30 HIEDLO COc1cccc([C@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)c2ccccc2Cl)c1 ZINC000462233593 875345651 /nfs/dbraw/zinc/34/56/51/875345651.db2.gz DIGRXVJILRAKPX-DEOSSOPVSA-N 1 2 419.912 4.216 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)cc2F)c1 ZINC000468984309 883050954 /nfs/dbraw/zinc/05/09/54/883050954.db2.gz MSNSJXHTIRBVGL-HSZRJFAPSA-N 1 2 415.468 4.489 20 30 HIEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)cc2F)c1 ZINC000468984309 883050967 /nfs/dbraw/zinc/05/09/67/883050967.db2.gz MSNSJXHTIRBVGL-HSZRJFAPSA-N 1 2 415.468 4.489 20 30 HIEDLO CCCCOC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000464855307 878132794 /nfs/dbraw/zinc/13/27/94/878132794.db2.gz XKXHSWZLZAORSA-UHFFFAOYSA-N 1 2 400.567 4.311 20 30 HIEDLO C[C@@H]1C[C@H]1[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000466149537 879856018 /nfs/dbraw/zinc/85/60/18/879856018.db2.gz KOKMKCUHVHQSJB-ZQMYSKGWSA-N 1 2 422.960 4.436 20 30 HIEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000467217219 880947001 /nfs/dbraw/zinc/94/70/01/880947001.db2.gz MIRWJDXPTRBGAN-UHFFFAOYSA-N 1 2 409.342 4.077 20 30 HIEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1ccc(Cl)cc1 ZINC000469260270 883357526 /nfs/dbraw/zinc/35/75/26/883357526.db2.gz ASQLMRSRNHXXGX-NQIIRXRSSA-N 1 2 406.873 4.042 20 30 HIEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1ccc(Cl)cc1 ZINC000469260270 883357548 /nfs/dbraw/zinc/35/75/48/883357548.db2.gz ASQLMRSRNHXXGX-NQIIRXRSSA-N 1 2 406.873 4.042 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000469454159 883659082 /nfs/dbraw/zinc/65/90/82/883659082.db2.gz HJYLBQKWGHKKMI-KRWDZBQOSA-N 1 2 413.468 4.100 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000469454159 883659092 /nfs/dbraw/zinc/65/90/92/883659092.db2.gz HJYLBQKWGHKKMI-KRWDZBQOSA-N 1 2 413.468 4.100 20 30 HIEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470224828 884551071 /nfs/dbraw/zinc/55/10/71/884551071.db2.gz ULTQJKJVHHTNNJ-WVDZOPJMSA-N 1 2 417.962 4.017 20 30 HIEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470224828 884551087 /nfs/dbraw/zinc/55/10/87/884551087.db2.gz ULTQJKJVHHTNNJ-WVDZOPJMSA-N 1 2 417.962 4.017 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470961450 885459298 /nfs/dbraw/zinc/45/92/98/885459298.db2.gz SMUNYAPHYLKOGG-LPHOPBHVSA-N 1 2 418.463 4.236 20 30 HIEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470961450 885459314 /nfs/dbraw/zinc/45/93/14/885459314.db2.gz SMUNYAPHYLKOGG-LPHOPBHVSA-N 1 2 418.463 4.236 20 30 HIEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471984294 886811729 /nfs/dbraw/zinc/81/17/29/886811729.db2.gz FXFYTWAQSVKUIV-PKOBYXMFSA-N 1 2 406.383 4.072 20 30 HIEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471984294 886811734 /nfs/dbraw/zinc/81/17/34/886811734.db2.gz FXFYTWAQSVKUIV-PKOBYXMFSA-N 1 2 406.383 4.072 20 30 HIEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000473007176 887837525 /nfs/dbraw/zinc/83/75/25/887837525.db2.gz FRBOUAIFXJVEOW-FQEVSTJZSA-N 1 2 418.324 4.073 20 30 HIEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000474274409 889137170 /nfs/dbraw/zinc/13/71/70/889137170.db2.gz GCZGURADGBOTED-SFHVURJKSA-N 1 2 409.559 4.088 20 30 HIEDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000474274409 889137179 /nfs/dbraw/zinc/13/71/79/889137179.db2.gz GCZGURADGBOTED-SFHVURJKSA-N 1 2 409.559 4.088 20 30 HIEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000475347227 890269971 /nfs/dbraw/zinc/26/99/71/890269971.db2.gz GTUGFGQKGYSLAJ-NRFANRHFSA-N 1 2 409.896 4.252 20 30 HIEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000478052847 893202265 /nfs/dbraw/zinc/20/22/65/893202265.db2.gz IBQLWFUDFYQVTM-HNNXBMFYSA-N 1 2 410.461 4.434 20 30 HIEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000478052847 893202288 /nfs/dbraw/zinc/20/22/88/893202288.db2.gz IBQLWFUDFYQVTM-HNNXBMFYSA-N 1 2 410.461 4.434 20 30 HIEDLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccccc1SCC#N)CCC2 ZINC000478056185 893210938 /nfs/dbraw/zinc/21/09/38/893210938.db2.gz UAOYSBQMAUTRDZ-INIZCTEOSA-N 1 2 400.573 4.269 20 30 HIEDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1SCC#N)CCC2 ZINC000478056185 893210959 /nfs/dbraw/zinc/21/09/59/893210959.db2.gz UAOYSBQMAUTRDZ-INIZCTEOSA-N 1 2 400.573 4.269 20 30 HIEDLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccccc1SCC#N)CCC2 ZINC000478056188 893211078 /nfs/dbraw/zinc/21/10/78/893211078.db2.gz UAOYSBQMAUTRDZ-MRXNPFEDSA-N 1 2 400.573 4.269 20 30 HIEDLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccccc1SCC#N)CCC2 ZINC000478056188 893211092 /nfs/dbraw/zinc/21/10/92/893211092.db2.gz UAOYSBQMAUTRDZ-MRXNPFEDSA-N 1 2 400.573 4.269 20 30 HIEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000478205455 893367090 /nfs/dbraw/zinc/36/70/90/893367090.db2.gz KYISHNWHSXLPBO-UHFFFAOYSA-N 1 2 410.566 4.137 20 30 HIEDLO C=C(C)[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000478912076 894191744 /nfs/dbraw/zinc/19/17/44/894191744.db2.gz PDXCFOMKTXGABV-JOCHJYFZSA-N 1 2 424.451 4.237 20 30 HIEDLO C=C(C)Cn1c(SCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)nnc1-c1ccco1 ZINC000479775066 895076577 /nfs/dbraw/zinc/07/65/77/895076577.db2.gz MAYRATUZMSQASA-UHFFFAOYSA-N 1 2 408.487 4.030 20 30 HIEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000480758557 896120226 /nfs/dbraw/zinc/12/02/26/896120226.db2.gz DTSJNVONHJWIMJ-HNNXBMFYSA-N 1 2 400.885 4.384 20 30 HIEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000480758557 896120244 /nfs/dbraw/zinc/12/02/44/896120244.db2.gz DTSJNVONHJWIMJ-HNNXBMFYSA-N 1 2 400.885 4.384 20 30 HIEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)c1 ZINC000480772742 896136255 /nfs/dbraw/zinc/13/62/55/896136255.db2.gz VNIKSUVVJQDOPY-UHFFFAOYSA-N 1 2 411.303 4.240 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000481820398 897193520 /nfs/dbraw/zinc/19/35/20/897193520.db2.gz CAVFPRFVPIFGBX-QRQLOZEOSA-N 1 2 408.502 4.083 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000481820398 897193526 /nfs/dbraw/zinc/19/35/26/897193526.db2.gz CAVFPRFVPIFGBX-QRQLOZEOSA-N 1 2 408.502 4.083 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000481823232 897194933 /nfs/dbraw/zinc/19/49/33/897194933.db2.gz JITJYDJFGGQMFQ-QYZOEREBSA-N 1 2 408.502 4.083 20 30 HIEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000481823232 897194943 /nfs/dbraw/zinc/19/49/43/897194943.db2.gz JITJYDJFGGQMFQ-QYZOEREBSA-N 1 2 408.502 4.083 20 30 HIEDLO C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000482239787 897721546 /nfs/dbraw/zinc/72/15/46/897721546.db2.gz FTHDOYPISOEEMO-SECBINFHSA-N 1 2 415.309 4.499 20 30 HIEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)c2)cc1 ZINC000505552482 914256675 /nfs/dbraw/zinc/25/66/75/914256675.db2.gz ZZJYAGHMAZIKAW-XMMPIXPASA-N 1 2 415.468 4.063 20 30 HIEDLO N#Cc1cc(F)ccc1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000483096830 898785644 /nfs/dbraw/zinc/78/56/44/898785644.db2.gz FJOGWWJXIORSMD-UHFFFAOYSA-N 1 2 407.518 4.225 20 30 HIEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)cc1 ZINC000485298052 900576158 /nfs/dbraw/zinc/57/61/58/900576158.db2.gz AJJONWJXWXJDAS-IIBYNOLFSA-N 1 2 415.497 4.017 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(Oc4ccncc4)c3)CC2)cc1 ZINC000485362868 900658989 /nfs/dbraw/zinc/65/89/89/900658989.db2.gz XNHZSIGCEHAVJU-UHFFFAOYSA-N 1 2 413.481 4.095 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2CCC(C(F)F)CC2)c1C#N ZINC000486132949 901321001 /nfs/dbraw/zinc/32/10/01/901321001.db2.gz ANQOZZDJSIJJJG-UHFFFAOYSA-N 1 2 418.463 4.080 20 30 HIEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1Br)C1CCCC1)C1CC1 ZINC000486791911 901856335 /nfs/dbraw/zinc/85/63/35/901856335.db2.gz AZOWENFGOPJPHQ-FQEVSTJZSA-N 1 2 404.352 4.002 20 30 HIEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1Br)C1CCCC1)C1CC1 ZINC000486791911 901856337 /nfs/dbraw/zinc/85/63/37/901856337.db2.gz AZOWENFGOPJPHQ-FQEVSTJZSA-N 1 2 404.352 4.002 20 30 HIEDLO N#C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000505939183 914591358 /nfs/dbraw/zinc/59/13/58/914591358.db2.gz UCKXIQFICOBFKN-MOPGFXCFSA-N 1 2 419.472 4.176 20 30 HIEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000497396037 906877692 /nfs/dbraw/zinc/87/76/92/906877692.db2.gz QUEHWFXRYBJKOS-OAHLLOKOSA-N 1 2 401.576 4.249 20 30 HIEDLO N#Cc1ccc(N2CC[NH+]([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)CC2)nc1 ZINC000497459401 906937272 /nfs/dbraw/zinc/93/72/72/906937272.db2.gz GBYFJPBAKGOKKJ-RUZDIDTESA-N 1 2 421.504 4.181 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000499176029 908531817 /nfs/dbraw/zinc/53/18/17/908531817.db2.gz NVAQMSHSBUBNPC-VQTJNVASSA-N 1 2 419.978 4.171 20 30 HIEDLO C=CCN(Cc1cccs1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000499176029 908531830 /nfs/dbraw/zinc/53/18/30/908531830.db2.gz NVAQMSHSBUBNPC-VQTJNVASSA-N 1 2 419.978 4.171 20 30 HIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(COc3ccccc3C#N)o2)c1C ZINC000499686204 908877433 /nfs/dbraw/zinc/87/74/33/908877433.db2.gz JRZJPHQCDXTKPE-UHFFFAOYSA-N 1 2 405.454 4.023 20 30 HIEDLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000499944780 909049260 /nfs/dbraw/zinc/04/92/60/909049260.db2.gz IROBVVYSEKWXHV-QPPBQGQZSA-N 1 2 411.590 4.358 20 30 HIEDLO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C#N ZINC000500044760 909507212 /nfs/dbraw/zinc/50/72/12/909507212.db2.gz HGHUNDIGNCKRLQ-MRXNPFEDSA-N 1 2 421.570 4.105 20 30 HIEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000506300056 914893870 /nfs/dbraw/zinc/89/38/70/914893870.db2.gz QLZJVZFAWBJFRK-HSZRJFAPSA-N 1 2 411.461 4.114 20 30 HIEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000506300056 914893871 /nfs/dbraw/zinc/89/38/71/914893871.db2.gz QLZJVZFAWBJFRK-HSZRJFAPSA-N 1 2 411.461 4.114 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1C#N ZINC000513400774 921769290 /nfs/dbraw/zinc/76/92/90/921769290.db2.gz CTHPLIUQANJYCU-JOCHJYFZSA-N 1 2 419.504 4.268 20 30 HIEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1C#N ZINC000513400774 921769305 /nfs/dbraw/zinc/76/93/05/921769305.db2.gz CTHPLIUQANJYCU-JOCHJYFZSA-N 1 2 419.504 4.268 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507320220 916082375 /nfs/dbraw/zinc/08/23/75/916082375.db2.gz QQAKBFZDJTZNOP-HXUWFJFHSA-N 1 2 410.521 4.374 20 30 HIEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507802491 916587862 /nfs/dbraw/zinc/58/78/62/916587862.db2.gz VPVDJBDQYYZIAX-OAHLLOKOSA-N 1 2 415.440 4.030 20 30 HIEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000508332330 917135587 /nfs/dbraw/zinc/13/55/87/917135587.db2.gz HLXNRPLOOHMURW-LJQANCHMSA-N 1 2 405.542 4.233 20 30 HIEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000508332330 917135596 /nfs/dbraw/zinc/13/55/96/917135596.db2.gz HLXNRPLOOHMURW-LJQANCHMSA-N 1 2 405.542 4.233 20 30 HIEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000510642608 919084773 /nfs/dbraw/zinc/08/47/73/919084773.db2.gz BPWCKAGBNKWHOU-UHFFFAOYSA-N 1 2 401.470 4.248 20 30 HIEDLO Clc1ccccc1C#CCN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510936605 919461912 /nfs/dbraw/zinc/46/19/12/919461912.db2.gz MKSHFTQVBPGTJC-UHFFFAOYSA-N 1 2 418.722 4.446 20 30 HIEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)CC2)cc1 ZINC000511168571 919790689 /nfs/dbraw/zinc/79/06/89/919790689.db2.gz AKHKGTPUDQPKDT-UHFFFAOYSA-N 1 2 420.847 4.163 20 30 HIEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000511211748 919822927 /nfs/dbraw/zinc/82/29/27/919822927.db2.gz RNNPEZGCEZTLTL-UHFFFAOYSA-N 1 2 400.309 4.271 20 30 HIEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000511211748 919822936 /nfs/dbraw/zinc/82/29/36/919822936.db2.gz RNNPEZGCEZTLTL-UHFFFAOYSA-N 1 2 400.309 4.271 20 30 HIEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cn2c1 ZINC000513693700 922014400 /nfs/dbraw/zinc/01/44/00/922014400.db2.gz IKBNUYLDLDNAAT-KRWDZBQOSA-N 1 2 418.444 4.276 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@](F)(c3ccccc3F)C2)sc2c1CCC2 ZINC000515073876 922895370 /nfs/dbraw/zinc/89/53/70/922895370.db2.gz KUPYAAHZMCTBKY-NRFANRHFSA-N 1 2 401.482 4.147 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)sc2c1CCC2 ZINC000515073876 922895372 /nfs/dbraw/zinc/89/53/72/922895372.db2.gz KUPYAAHZMCTBKY-NRFANRHFSA-N 1 2 401.482 4.147 20 30 HIEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000517905584 926884000 /nfs/dbraw/zinc/88/40/00/926884000.db2.gz KQYCGCWOSJIYGJ-LJQANCHMSA-N 1 2 406.530 4.396 20 30 HIEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)sc2C1 ZINC000518442324 927274486 /nfs/dbraw/zinc/27/44/86/927274486.db2.gz ZGGJECICMQKYGP-UHFFFAOYSA-N 1 2 404.495 4.242 20 30 HIEDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)sc2C1 ZINC000518442324 927274504 /nfs/dbraw/zinc/27/45/04/927274504.db2.gz ZGGJECICMQKYGP-UHFFFAOYSA-N 1 2 404.495 4.242 20 30 HIEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000519202229 927825116 /nfs/dbraw/zinc/82/51/16/927825116.db2.gz GQVGLGILERGHOB-UHFFFAOYSA-N 1 2 403.404 4.059 20 30 HIEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000519451221 927959271 /nfs/dbraw/zinc/95/92/71/927959271.db2.gz UHOSHNPPYMTGMJ-GOSISDBHSA-N 1 2 424.570 4.297 20 30 HIEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000530966059 930870437 /nfs/dbraw/zinc/87/04/37/930870437.db2.gz DNAWORXKQLQOHM-CABCVRRESA-N 1 2 403.885 4.474 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532648714 931567153 /nfs/dbraw/zinc/56/71/53/931567153.db2.gz ACSSGWSFTNFNPJ-KRWDZBQOSA-N 1 2 404.576 4.347 20 30 HIEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532648714 931567168 /nfs/dbraw/zinc/56/71/68/931567168.db2.gz ACSSGWSFTNFNPJ-KRWDZBQOSA-N 1 2 404.576 4.347 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)C(=O)Nc4oc(C)c(C)c4C#N)CC3)c2c1 ZINC000533350593 931846213 /nfs/dbraw/zinc/84/62/13/931846213.db2.gz GUOJYGAJFHJDRI-HNNXBMFYSA-N 1 2 418.497 4.374 20 30 HIEDLO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C)C(=O)Nc4oc(C)c(C)c4C#N)CC3)c2c1 ZINC000533350593 931846218 /nfs/dbraw/zinc/84/62/18/931846218.db2.gz GUOJYGAJFHJDRI-HNNXBMFYSA-N 1 2 418.497 4.374 20 30 HIEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c2ccccc21 ZINC000533435681 931867743 /nfs/dbraw/zinc/86/77/43/931867743.db2.gz WNBNTSAEVQMIRE-UHFFFAOYSA-N 1 2 405.473 4.420 20 30 HIEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000533606123 931919355 /nfs/dbraw/zinc/91/93/55/931919355.db2.gz BMOPGSWAOIKQCV-OAHLLOKOSA-N 1 2 410.461 4.434 20 30 HIEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000533606123 931919360 /nfs/dbraw/zinc/91/93/60/931919360.db2.gz BMOPGSWAOIKQCV-OAHLLOKOSA-N 1 2 410.461 4.434 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)C1=O ZINC000533606582 931920191 /nfs/dbraw/zinc/92/01/91/931920191.db2.gz FOGMLWVMDMPMTD-CRAIPNDOSA-N 1 2 415.946 4.169 20 30 HIEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)C1=O ZINC000533606582 931920206 /nfs/dbraw/zinc/92/02/06/931920206.db2.gz FOGMLWVMDMPMTD-CRAIPNDOSA-N 1 2 415.946 4.169 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)sc2c1CCCC2 ZINC000533936029 932110168 /nfs/dbraw/zinc/11/01/68/932110168.db2.gz XXGNMEYCKLEYLK-UHFFFAOYSA-N 1 2 404.539 4.367 20 30 HIEDLO N#Cc1c(NC(=O)CC[N@H+]2CCc3c4ccccc4[nH]c3C2)sc2c1CCCC2 ZINC000533936029 932110171 /nfs/dbraw/zinc/11/01/71/932110171.db2.gz XXGNMEYCKLEYLK-UHFFFAOYSA-N 1 2 404.539 4.367 20 30 HIEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc(OC)c1O ZINC000538764245 938704694 /nfs/dbraw/zinc/70/46/94/938704694.db2.gz WJJPHDSSLYRWHY-HXUWFJFHSA-N 1 2 405.441 4.304 20 30 HIEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc(OC)c1O ZINC000538764245 938704698 /nfs/dbraw/zinc/70/46/98/938704698.db2.gz WJJPHDSSLYRWHY-HXUWFJFHSA-N 1 2 405.441 4.304 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C3)cs1 ZINC000538998471 938764671 /nfs/dbraw/zinc/76/46/71/938764671.db2.gz WKWBJHZQRUBKGO-UHFFFAOYSA-N 1 2 414.600 4.223 20 30 HIEDLO Cc1nc(-c2cc3c(s2)CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C3)cs1 ZINC000538998471 938764672 /nfs/dbraw/zinc/76/46/72/938764672.db2.gz WKWBJHZQRUBKGO-UHFFFAOYSA-N 1 2 414.600 4.223 20 30 HIEDLO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000540055382 939052639 /nfs/dbraw/zinc/05/26/39/939052639.db2.gz IHKDOEOATOCIMT-UHFFFAOYSA-N 1 2 421.570 4.424 20 30 HIEDLO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000541691971 939605540 /nfs/dbraw/zinc/60/55/40/939605540.db2.gz VRITWIVANKBMAE-ZDUSSCGKSA-N 1 2 400.251 4.341 20 30 HIEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000542277339 939782990 /nfs/dbraw/zinc/78/29/90/939782990.db2.gz OHGHILMSLKURMG-UHFFFAOYSA-N 1 2 415.447 4.387 20 30 HIEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000542568129 939844692 /nfs/dbraw/zinc/84/46/92/939844692.db2.gz FKIGTYHUAQFMKH-SFHVURJKSA-N 1 2 418.497 4.338 20 30 HIEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1C ZINC000542965295 939887507 /nfs/dbraw/zinc/88/75/07/939887507.db2.gz VKVWSRVAFNZKGJ-UHFFFAOYSA-N 1 2 424.892 4.082 20 30 HIEDLO C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542975497 939889592 /nfs/dbraw/zinc/88/95/92/939889592.db2.gz JFWKCOCIFFGRGO-WZONZLPQSA-N 1 2 411.509 4.259 20 30 HIEDLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000543486849 940079948 /nfs/dbraw/zinc/07/99/48/940079948.db2.gz YKEPPNHZENZVRQ-RHSMWYFYSA-N 1 2 401.532 4.032 20 30 HIEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)o1 ZINC000543487174 940080564 /nfs/dbraw/zinc/08/05/64/940080564.db2.gz XHSUOXRODKNCAU-FQEVSTJZSA-N 1 2 412.534 4.163 20 30 HIEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)nc1C ZINC000543540683 940099131 /nfs/dbraw/zinc/09/91/31/940099131.db2.gz FHTCDYBOLAFIAZ-CYBMUJFWSA-N 1 2 412.433 4.229 20 30 HIEDLO Cc1cc(N(C)Cc2cccc(C#N)c2)nc([C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000543947091 940260634 /nfs/dbraw/zinc/26/06/34/940260634.db2.gz LDUMMVIXANWJQD-LJQANCHMSA-N 1 2 410.525 4.358 20 30 HIEDLO Cc1cc(N(C)Cc2cccc(C#N)c2)nc([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000543947091 940260642 /nfs/dbraw/zinc/26/06/42/940260642.db2.gz LDUMMVIXANWJQD-LJQANCHMSA-N 1 2 410.525 4.358 20 30 HIEDLO N#CCCCOc1cccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000546255997 940749973 /nfs/dbraw/zinc/74/99/73/940749973.db2.gz QAWRERHZUOVRLK-UHFFFAOYSA-N 1 2 400.526 4.367 20 30 HIEDLO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000546831480 940890393 /nfs/dbraw/zinc/89/03/93/940890393.db2.gz MXAQKMODTUNNDB-GOSISDBHSA-N 1 2 423.944 4.223 20 30 HIEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000548798079 941124530 /nfs/dbraw/zinc/12/45/30/941124530.db2.gz OPXXSVQONCJHAA-OAHLLOKOSA-N 1 2 417.340 4.123 20 30 HIEDLO C[C@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000548936802 941130851 /nfs/dbraw/zinc/13/08/51/941130851.db2.gz NCTVNQJFMGMWRZ-NSHDSACASA-N 1 2 406.799 4.057 20 30 HIEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000549601019 941201012 /nfs/dbraw/zinc/20/10/12/941201012.db2.gz CETMYPGKNDSCAF-UHFFFAOYSA-N 1 2 405.468 4.073 20 30 HIEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000550078611 941281170 /nfs/dbraw/zinc/28/11/70/941281170.db2.gz CSCGGESZMYFUDP-UYAOXDASSA-N 1 2 417.347 4.149 20 30 HIEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000550078611 941281173 /nfs/dbraw/zinc/28/11/73/941281173.db2.gz CSCGGESZMYFUDP-UYAOXDASSA-N 1 2 417.347 4.149 20 30 HIEDLO Cc1n[nH]cc1C1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000551422012 941475768 /nfs/dbraw/zinc/47/57/68/941475768.db2.gz NSUXUYXWTCMILP-HNNXBMFYSA-N 1 2 411.575 4.127 20 30 HIEDLO C[N@H+](Cc1ccc(Br)cc1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000554243022 942076074 /nfs/dbraw/zinc/07/60/74/942076074.db2.gz CLLWTJKTGBBIAN-QGZVFWFLSA-N 1 2 424.136 4.249 20 30 HIEDLO C[N@@H+](Cc1ccc(Br)cc1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000554243022 942076077 /nfs/dbraw/zinc/07/60/77/942076077.db2.gz CLLWTJKTGBBIAN-QGZVFWFLSA-N 1 2 424.136 4.249 20 30 HIEDLO C=CCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nnc1-c1cccc(Cl)c1 ZINC000556336500 942844101 /nfs/dbraw/zinc/84/41/01/942844101.db2.gz NEKCZLKSPGJMHG-UHFFFAOYSA-N 1 2 420.026 4.293 20 30 HIEDLO CCN(C(=O)c1ccc(F)c(C#N)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000556414152 942860253 /nfs/dbraw/zinc/86/02/53/942860253.db2.gz VKICBDXYWRXOPR-UHFFFAOYSA-N 1 2 409.509 4.050 20 30 HIEDLO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000564439242 945590191 /nfs/dbraw/zinc/59/01/91/945590191.db2.gz QXELNAZVHLDWIP-KKSFZXQISA-N 1 2 402.458 4.057 20 30 HIEDLO N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)c(F)c1 ZINC000565262608 945795008 /nfs/dbraw/zinc/79/50/08/945795008.db2.gz JUUYOXGGGFUUHO-OAHLLOKOSA-N 1 2 409.852 4.001 20 30 HIEDLO C=CCn1c(-c2ccc(C)o2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000566530632 946033640 /nfs/dbraw/zinc/03/36/40/946033640.db2.gz CGOKBGPRMIZBRL-UHFFFAOYSA-N 1 2 406.534 4.170 20 30 HIEDLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)n2)ccc1F ZINC000573279918 948139550 /nfs/dbraw/zinc/13/95/50/948139550.db2.gz PVQIMNCGUYQDAY-HNNXBMFYSA-N 1 2 416.460 4.307 20 30 HIEDLO